CID 456960

1h-pyrrole-3-methanamine, 5-(4-chlorophenyl)-2-methyl-n,1-diphenyl-

Structural Information

Molecular Formula
C24H21ClN2
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CNC4=CC=CC=C4
InChI
InChI=1S/C24H21ClN2/c1-18-20(17-26-22-8-4-2-5-9-22)16-24(19-12-14-21(25)15-13-19)27(18)23-10-6-3-7-11-23/h2-16,26H,17H2,1H3
InChIKey
AWUGDDILXFAYKZ-UHFFFAOYSA-N
Compound name
N-[[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1393 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14658 191.8
[M+Na]+ 395.12852 200.2
[M-H]- 371.13202 203.0
[M+NH4]+ 390.17312 204.5
[M+K]+ 411.10246 191.0
[M+H-H2O]+ 355.13656 181.2
[M+HCOO]- 417.13750 210.9
[M+CH3COO]- 431.15315 202.2
[M+Na-2H]- 393.11397 193.1
[M]+ 372.13875 193.5
[M]- 372.13985 193.5
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.