CID 3011402

N-(2-methyl-5-phenyl-3-{[4-benzylpiperazinyl]methyl}pyrrolyl)-4-pyridyl-carboxamide

Structural Information

Molecular Formula
C29H31N5O
SMILES
CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C29H31N5O/c1-23-27(22-33-18-16-32(17-19-33)21-24-8-4-2-5-9-24)20-28(25-10-6-3-7-11-25)34(23)31-29(35)26-12-14-30-15-13-26/h2-15,20H,16-19,21-22H2,1H3,(H,31,35)
InChIKey
DAXLMFJTCXJXJG-UHFFFAOYSA-N
Compound name
N-[3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-5-phenylpyrrol-1-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.25287 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.26015 215.2
[M+Na]+ 488.24209 218.1
[M-H]- 464.24559 224.2
[M+NH4]+ 483.28669 217.6
[M+K]+ 504.21603 209.3
[M+H-H2O]+ 448.25013 200.0
[M+HCOO]- 510.25107 229.2
[M+CH3COO]- 524.26672 220.5
[M+Na-2H]- 486.22754 213.2
[M]+ 465.25232 210.4
[M]- 465.25342 210.4
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.