PubChemLite - 151327-05-8 (C24H23N7O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H23N7O/c1-3-6-21-20(24(32)31-22(25-21)13-15(2)28-31)14-16-9-11-17(12-10-16)18-7-4-5-8-19(18)23-26-29-30-27-23/h4-5,7-13,28H,3,6,14H2,1-2H3,(H,26,27,29,30)

InChIKey

INNLXAIUAHQPKR-UHFFFAOYSA-N

Compound name

2-methyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrazolo[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]+	426.20368	205.4
[M+Na]+	448.18562	216.5
[M-H]-	424.18912	209.8
[M+NH4]+	443.23022	209.0
[M+K]+	464.15956	205.4
[M+H-H2O]+	408.19366	192.6
[M+HCOO]-	470.19460	218.9
[M+CH3COO]-	484.21025	212.6
[M+Na-2H]-	446.17107	204.5
[M]+	425.19585	207.1
[M]-	425.19695	207.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.20368

205.4

[M+Na]+

448.18562

216.5

[M-H]-

424.18912

209.8

[M+NH4]+

443.23022

209.0

[M+K]+

464.15956

205.4

[M+H-H2O]+

408.19366

192.6

[M+HCOO]-

470.19460

218.9

[M+CH3COO]-

484.21025

212.6

[M+Na-2H]-

446.17107

204.5

[M]+

425.19585

207.1

[M]-

425.19695

207.1

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

151327-05-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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