PubChemLite - 187585-64-4 (C37H36O14)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OC(=O)OCCCCOC(=O)C=C

InChI

InChI=1S/C37H36O14/c1-4-32(38)44-20-6-8-22-46-36(42)49-28-14-10-26(11-15-28)34(40)48-30-18-19-31(25(3)24-30)51-35(41)27-12-16-29(17-13-27)50-37(43)47-23-9-7-21-45-33(39)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3

InChIKey

ZKBUNGNDTCOGEU-UHFFFAOYSA-N

Compound name

[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate

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]+	705.21778	263.6
[M+Na]+	727.19972	262.6
[M+NH4]+	722.24432	267.6
[M+K]+	743.17366	263.0
[M-H]-	703.20322	262.8
[M+Na-2H]-	725.18517	266.1
[M]+	704.20995	264.2
[M]-	704.21105	264.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

705.21778

263.6

[M+Na]+

727.19972

262.6

[M+NH4]+

722.24432

267.6

[M+K]+

743.17366

263.0

[M-H]-

703.20322

262.8

[M+Na-2H]-

725.18517

266.1

[M]+

704.20995

264.2

[M]-

704.21105

264.2

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

187585-64-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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