CID 456958

{[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl}phenylamine

Structural Information

Molecular Formula
C24H20Cl2N2
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CNC4=CC=CC=C4
InChI
InChI=1S/C24H20Cl2N2/c1-17-19(16-27-22-5-3-2-4-6-22)15-24(18-7-9-20(25)10-8-18)28(17)23-13-11-21(26)12-14-23/h2-15,27H,16H2,1H3
InChIKey
SAPZJLODUNCLNZ-UHFFFAOYSA-N
Compound name
N-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.10034 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10762 199.7
[M+Na]+ 429.08956 209.3
[M-H]- 405.09306 210.2
[M+NH4]+ 424.13416 211.7
[M+K]+ 445.06350 199.2
[M+H-H2O]+ 389.09760 189.4
[M+HCOO]- 451.09854 213.5
[M+CH3COO]- 465.11419 209.5
[M+Na-2H]- 427.07501 199.3
[M]+ 406.09979 203.3
[M]- 406.10089 203.3
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.