CID 6479841

N-[2-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide

Structural Information

Molecular Formula
C22H24N4O
SMILES
CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCCC4
InChI
InChI=1S/C22H24N4O/c1-17-20(16-25-13-5-6-14-25)15-21(18-7-3-2-4-8-18)26(17)24-22(27)19-9-11-23-12-10-19/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,24,27)
InChIKey
GIGFCSQPPWLMBB-UHFFFAOYSA-N
Compound name
N-[2-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 186.3
[M+Na]+ 383.18422 191.3
[M-H]- 359.18772 195.3
[M+NH4]+ 378.22882 197.2
[M+K]+ 399.15816 185.3
[M+H-H2O]+ 343.19226 174.8
[M+HCOO]- 405.19320 205.8
[M+CH3COO]- 419.20885 195.4
[M+Na-2H]- 381.16967 184.5
[M]+ 360.19445 183.9
[M]- 360.19555 183.9
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.