CID 456965

1h-pyrrole-3-carboxamide, 1,5-bis(4-chlorophenyl)-n,n,2-trimethyl-

Structural Information

Molecular Formula
C20H18Cl2N2O
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)N(C)C
InChI
InChI=1S/C20H18Cl2N2O/c1-13-18(20(25)23(2)3)12-19(14-4-6-15(21)7-5-14)24(13)17-10-8-16(22)9-11-17/h4-12H,1-3H3
InChIKey
RIWASZDZDGCICJ-UHFFFAOYSA-N
Compound name
1,5-bis(4-chlorophenyl)-N,N,2-trimethylpyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07962 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08690 187.9
[M+Na]+ 395.06884 198.1
[M-H]- 371.07234 197.7
[M+NH4]+ 390.11344 202.6
[M+K]+ 411.04278 191.1
[M+H-H2O]+ 355.07688 179.6
[M+HCOO]- 417.07782 202.1
[M+CH3COO]- 431.09347 221.3
[M+Na-2H]- 393.05429 186.0
[M]+ 372.07907 194.0
[M]- 372.08017 194.0
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.