CID 53977892

114799-13-2

Structural Information

Molecular Formula
C22H23ClN6O
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)Cl)CO
InChI
InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-19(14-30)21(23)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
InChIKey
JWFIXKFLBIURBL-UHFFFAOYSA-N
Compound name
[2-butyl-5-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

422.1622 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.169476 199.7
[M+Na]+ 445.151418 209.8
[M-H]- 421.154924 203.5
[M+NH4]+ 440.196023 204.6
[M+K]+ 461.125358 199.7
[M+H-H2O]+ 405.159460 186.7
[M+HCOO]- 467.160401 210.9
[M+CH3COO]- 481.176051 207.3
[M+Na-2H]- 443.136866 197.8
[M]+ 422.16165142 203.7
[M]- 422.16274858 203.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe