PubChemLite - Glaudine (C22H25NO6)

Structural Information

Molecular Formula

SMILES

CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC

InChI

InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3

InChIKey

STJFYCWYHROASW-UHFFFAOYSA-N

Compound name

11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene

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]+	400.17546	200.2
[M+Na]+	422.15740	211.6
[M+NH4]+	417.20200	207.1
[M+K]+	438.13134	208.4
[M-H]-	398.16090	205.9
[M+Na-2H]-	420.14285	198.6
[M]+	399.16763	203.6
[M]-	399.16873	203.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.17546

200.2

[M+Na]+

422.15740

211.6

[M+NH4]+

417.20200

207.1

[M+K]+

438.13134

208.4

[M-H]-

398.16090

205.9

[M+Na-2H]-

420.14285

198.6

[M]+

399.16763

203.6

[M]-

399.16873

203.6

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

Glaudine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe