Dtxsid20981387 (C23H24O10)

Structural Information

Molecular Formula

SMILES

CC1C2=C(CC(O1)CC(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C5CC(C4(C(O5)C)O)O)O

InChI

InChI=1S/C23H24O10/c1-7-14-10(4-9(32-7)5-13(25)31-3)19(26)16-17(20(14)27)22(29)18-15(21(16)28)11-6-12(24)23(18,30)8(2)33-11/h7-9,11-12,24,26-27,30H,4-6H2,1-3H3

InChIKey

RNQSCXROYAIAJC-UHFFFAOYSA-N

Compound name

methyl 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetate

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]+	461.144206	200.7
[M+Na]+	483.126148	205.1
[M-H]-	459.129654	197.8
[M+NH4]+	478.170753	212.0
[M+K]+	499.100088	206.1
[M+H-H2O]+	443.134190	192.8
[M+HCOO]-	505.135131	196.3
[M+CH3COO]-	519.150781	240.5
[M+Na-2H]-	481.111596	205.4
[M]+	460.13638142	207.0
[M]-	460.13747858	207.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.144206

200.7

[M+Na]+

483.126148

205.1

[M-H]-

459.129654

197.8

[M+NH4]+

478.170753

212.0

[M+K]+

499.100088

206.1

[M+H-H2O]+

443.134190

192.8

[M+HCOO]-

505.135131

196.3

[M+CH3COO]-

519.150781

240.5

[M+Na-2H]-

481.111596

205.4

[M]+

460.13638142

207.0

[M]-

460.13747858

207.0

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

Dtxsid20981387

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe