CID 6481243

1-[[4-(4-chlorophenyl)-1-isobutyl-pyrrol-3-yl]-phenyl-methyl]imidazole

Structural Information

Molecular Formula
C24H24ClN3
SMILES
CC(C)CN1C=C(C(=C1)C(C2=CC=CC=C2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H24ClN3/c1-18(2)14-27-15-22(19-8-10-21(25)11-9-19)23(16-27)24(28-13-12-26-17-28)20-6-4-3-5-7-20/h3-13,15-18,24H,14H2,1-2H3
InChIKey
HCZASHUGJJIZEU-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-(2-methylpropyl)pyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.16586 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17314 195.0
[M+Na]+ 412.15508 203.2
[M-H]- 388.15858 204.2
[M+NH4]+ 407.19968 206.1
[M+K]+ 428.12902 195.1
[M+H-H2O]+ 372.16312 183.3
[M+HCOO]- 434.16406 210.6
[M+CH3COO]- 448.17971 204.6
[M+Na-2H]- 410.14053 192.2
[M]+ 389.16531 198.9
[M]- 389.16641 198.9
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

No patent data available for this compound.