PubChemLite - 168152-69-0 (C24H24N8O)

Structural Information

Molecular Formula

SMILES

CCCC1=C(C(=O)N2C(=N1)N=C(N2)CC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

InChI

InChI=1S/C24H24N8O/c1-3-7-20-19(23(33)32-24(25-20)26-21(4-2)29-32)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-27-30-31-28-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,25,26,29)(H,27,28,30,31)

InChIKey

NPHGXKIEIPZVQH-UHFFFAOYSA-N

Compound name

2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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]+	441.21458	207.3
[M+Na]+	463.19652	224.3
[M+NH4]+	458.24112	210.9
[M+K]+	479.17046	220.4
[M-H]-	439.20002	210.5
[M+Na-2H]-	461.18197	215.8
[M]+	440.20675	210.6
[M]-	440.20785	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.21458

207.3

[M+Na]+

463.19652

224.3

[M+NH4]+

458.24112

210.9

[M+K]+

479.17046

220.4

[M-H]-

439.20002

210.5

[M+Na-2H]-

461.18197

215.8

[M]+

440.20675

210.6

[M]-

440.20785

210.6

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

168152-69-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe