CID 456959

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

Structural Information

Molecular Formula
C24H19Cl3N2
SMILES
CC1=C(C=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)CNC4=CC=CC=C4
InChI
InChI=1S/C24H19Cl3N2/c1-16-18(15-28-21-5-3-2-4-6-21)13-24(17-7-9-19(25)10-8-17)29(16)23-12-11-20(26)14-22(23)27/h2-14,28H,15H2,1H3
InChIKey
ZUCUPYGDVLXROB-UHFFFAOYSA-N
Compound name
N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.06137 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.06865 206.5
[M+Na]+ 463.05059 216.8
[M-H]- 439.05409 215.6
[M+NH4]+ 458.09519 217.5
[M+K]+ 479.02453 206.5
[M+H-H2O]+ 423.05863 196.5
[M+HCOO]- 485.05957 214.7
[M+CH3COO]- 499.07522 215.2
[M+Na-2H]- 461.03604 204.2
[M]+ 440.06082 211.0
[M]- 440.06192 211.0
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.