PubChemLite - 108446-05-5 (C24H25N3O4)

Structural Information

Molecular Formula

SMILES

CC1COC2=CC3=C(C=C2C4=CC(=NC5=C(C=C(C=C5C)C)C)N(C(=O)N14)C)OCO3

InChI

InChI=1S/C24H25N3O4/c1-13-6-14(2)23(15(3)7-13)25-22-9-18-17-8-20-21(31-12-30-20)10-19(17)29-11-16(4)27(18)24(28)26(22)5/h6-10,16H,11-12H2,1-5H3

InChIKey

VMWUTRKVQWRSSA-UHFFFAOYSA-N

Compound name

5,8-dimethyl-4-(2,4,6-trimethylphenyl)imino-10,14,16-trioxa-5,7-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2,11,13(17)-tetraen-6-one

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]+	420.19178	207.8
[M+Na]+	442.17372	219.4
[M-H]-	418.17722	220.3
[M+NH4]+	437.21832	217.2
[M+K]+	458.14766	220.5
[M+H-H2O]+	402.18176	199.1
[M+HCOO]-	464.18270	223.1
[M+CH3COO]-	478.19835	218.2
[M+Na-2H]-	440.15917	208.8
[M]+	419.18395	212.5
[M]-	419.18505	212.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.19178

207.8

[M+Na]+

442.17372

219.4

[M-H]-

418.17722

220.3

[M+NH4]+

437.21832

217.2

[M+K]+

458.14766

220.5

[M+H-H2O]+

402.18176

199.1

[M+HCOO]-

464.18270

223.1

[M+CH3COO]-

478.19835

218.2

[M+Na-2H]-

440.15917

208.8

[M]+

419.18395

212.5

[M]-

419.18505

212.5

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

108446-05-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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