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]+ 423.16948 199.7
[M+Na]+ 445.15142 209.8
[M-H]- 421.15492 203.5
[M+NH4]+ 440.19602 204.6
[M+K]+ 461.12536 199.7
[M+H-H2O]+ 405.15946 186.7
[M+HCOO]- 467.16040 210.9
[M+CH3COO]- 481.17605 207.3
[M+Na-2H]- 443.13687 197.8
[M]+ 422.16165 203.7
[M]- 422.16275 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