CID 456954

146204-70-8

Structural Information

Molecular Formula
C21H18ClN3
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CN4C=CN=C4
InChI
InChI=1S/C21H18ClN3/c1-16-18(14-24-12-11-23-15-24)13-21(17-7-9-19(22)10-8-17)25(16)20-5-3-2-4-6-20/h2-13,15H,14H2,1H3
InChIKey
GXIYLETWCJDIFL-UHFFFAOYSA-N
Compound name
1-[[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11893 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12621 182.8
[M+Na]+ 370.10815 194.1
[M-H]- 346.11165 192.6
[M+NH4]+ 365.15275 196.1
[M+K]+ 386.08209 185.5
[M+H-H2O]+ 330.11619 171.6
[M+HCOO]- 392.11713 201.3
[M+CH3COO]- 406.13278 194.3
[M+Na-2H]- 368.09360 182.9
[M]+ 347.11838 187.2
[M]- 347.11948 187.2
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

No patent data available for this compound.