PubChemLite - Prodelphinidin b (C30H26O14)

Structural Information

Molecular Formula

SMILES

C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O

InChI

InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2

InChIKey

RTEDIEITOBJPNI-UHFFFAOYSA-N

Compound name

2-(3,4,5-trihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	611.13954	231.9
[M+Na]+	633.12148	239.2
[M-H]-	609.12498	229.0
[M+NH4]+	628.16608	234.9
[M+K]+	649.09542	234.0
[M+H-H2O]+	593.12952	223.1
[M+HCOO]-	655.13046	236.9
[M+CH3COO]-	669.14611	240.9
[M+Na-2H]-	631.10693	255.2
[M]+	610.13171	248.6
[M]-	610.13281	248.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

611.13954

231.9

[M+Na]+

633.12148

239.2

[M-H]-

609.12498

229.0

[M+NH4]+

628.16608

234.9

[M+K]+

649.09542

234.0

[M+H-H2O]+

593.12952

223.1

[M+HCOO]-

655.13046

236.9

[M+CH3COO]-

669.14611

240.9

[M+Na-2H]-

631.10693

255.2

[M]+

610.13171

248.6

[M]-

610.13281

248.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Prodelphinidin b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe