PubChemLite - Glxc-19152 (C22H22O6)

Structural Information

Molecular Formula

SMILES

CC1(C=CC2=C(C3=C(C=C2O1)OC[C@@H]4[C@H]3OC5=CC(=C(C=C45)OC)O)OC)C

InChI

InChI=1S/C22H22O6/c1-22(2)6-5-11-16(28-22)9-18-19(20(11)25-4)21-13(10-26-18)12-7-17(24-3)14(23)8-15(12)27-21/h5-9,13,21,23H,10H2,1-4H3/t13-,21+/m0/s1

InChIKey

CEAWIMABVSITMV-YEJXKQKISA-N

Compound name

(2R,10R)-7,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,14,18,20-heptaen-6-ol

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]+	383.14891	188.0
[M+Na]+	405.13085	198.4
[M-H]-	381.13435	196.4
[M+NH4]+	400.17545	203.5
[M+K]+	421.10479	197.8
[M+H-H2O]+	365.13889	181.0
[M+HCOO]-	427.13983	199.6
[M+CH3COO]-	441.15548	199.1
[M+Na-2H]-	403.11630	193.1
[M]+	382.14108	195.3
[M]-	382.14218	195.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.14891

188.0

[M+Na]+

405.13085

198.4

[M-H]-

381.13435

196.4

[M+NH4]+

400.17545

203.5

[M+K]+

421.10479

197.8

[M+H-H2O]+

365.13889

181.0

[M+HCOO]-

427.13983

199.6

[M+CH3COO]-

441.15548

199.1

[M+Na-2H]-

403.11630

193.1

[M]+

382.14108

195.3

[M]-

382.14218

195.3

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

Glxc-19152

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe