CID 456946

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

Structural Information

Molecular Formula
C20H20Cl2N2
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN(C)C
InChI
InChI=1S/C20H20Cl2N2/c1-14-16(13-23(2)3)12-20(15-4-6-17(21)7-5-15)24(14)19-10-8-18(22)9-11-19/h4-12H,13H2,1-3H3
InChIKey
CSFZWJAHSQLCJX-UHFFFAOYSA-N
Compound name
1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10034 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10762 186.5
[M+Na]+ 381.08956 196.7
[M-H]- 357.09306 195.8
[M+NH4]+ 376.13416 201.8
[M+K]+ 397.06350 189.0
[M+H-H2O]+ 341.09760 177.8
[M+HCOO]- 403.09854 201.1
[M+CH3COO]- 417.11419 197.8
[M+Na-2H]- 379.07501 185.4
[M]+ 358.09979 192.3
[M]- 358.10089 192.3
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.