CID 4286584

133052-87-6

Structural Information

Molecular Formula
C25H24N6
SMILES
CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C25H24N6/c1-2-3-12-24-26-22-10-6-7-11-23(22)31(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-27-29-30-28-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,27,28,29,30)
InChIKey
IFVAHIKNRDQTNV-UHFFFAOYSA-N
Compound name
2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

408.20624 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21352 200.0
[M+Na]+ 431.19546 209.3
[M-H]- 407.19896 205.6
[M+NH4]+ 426.24006 205.7
[M+K]+ 447.16940 199.0
[M+H-H2O]+ 391.20350 186.4
[M+HCOO]- 453.20444 215.7
[M+CH3COO]- 467.22009 207.7
[M+Na-2H]- 429.18091 200.5
[M]+ 408.20569 201.7
[M]- 408.20679 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe