CID 3011393

N-(3-{[4-(2-methoxyphenyl)piperazinyl]methyl}-2-methyl-5-phenylpyrrolyl)-4-pyridylcarboxamide

Structural Information

Molecular Formula
C29H31N5O2
SMILES
CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5OC
InChI
InChI=1S/C29H31N5O2/c1-22-25(21-32-16-18-33(19-17-32)26-10-6-7-11-28(26)36-2)20-27(23-8-4-3-5-9-23)34(22)31-29(35)24-12-14-30-15-13-24/h3-15,20H,16-19,21H2,1-2H3,(H,31,35)
InChIKey
CAHLPTIAPWQRFA-UHFFFAOYSA-N
Compound name
N-[3-[[4-(2-methoxyphenyl)piperazin-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

481.24777 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.25505 219.0
[M+Na]+ 504.23699 222.4
[M-H]- 480.24049 228.5
[M+NH4]+ 499.28159 220.9
[M+K]+ 520.21093 214.5
[M+H-H2O]+ 464.24503 203.8
[M+HCOO]- 526.24597 233.1
[M+CH3COO]- 540.26162 224.4
[M+Na-2H]- 502.22244 216.3
[M]+ 481.24722 215.9
[M]- 481.24832 215.9
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.