CID 456964

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

Structural Information

Molecular Formula
C18H14Cl2N2O
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C18H14Cl2N2O/c1-11-16(18(21)23)10-17(12-2-4-13(19)5-3-12)22(11)15-8-6-14(20)7-9-15/h2-10H,1H3,(H2,21,23)
InChIKey
IDIRBBZVTWTPIE-UHFFFAOYSA-N
Compound name
1,5-bis(4-chlorophenyl)-2-methylpyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0483 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05558 179.8
[M+Na]+ 367.03752 190.7
[M-H]- 343.04102 187.9
[M+NH4]+ 362.08212 194.7
[M+K]+ 383.01146 182.5
[M+H-H2O]+ 327.04556 172.1
[M+HCOO]- 389.04650 193.5
[M+CH3COO]- 403.06215 191.1
[M+Na-2H]- 365.02297 178.6
[M]+ 344.04775 183.1
[M]- 344.04885 183.1
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.