CID 6479833

N-(3-{[4-(2-pyridyl)piperazinyl]methyl}-2-methyl-5-phenylpyrrolyl)-4-pyridyl carboxamide

Structural Information

Molecular Formula
C27H28N6O
SMILES
CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=N5
InChI
InChI=1S/C27H28N6O/c1-21-24(20-31-15-17-32(18-16-31)26-9-5-6-12-29-26)19-25(22-7-3-2-4-8-22)33(21)30-27(34)23-10-13-28-14-11-23/h2-14,19H,15-18,20H2,1H3,(H,30,34)
InChIKey
SKMUMTQLRVILRG-UHFFFAOYSA-N
Compound name
N-[2-methyl-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrrol-1-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.23245 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.23973 210.8
[M+Na]+ 475.22167 214.5
[M-H]- 451.22517 218.9
[M+NH4]+ 470.26627 212.3
[M+K]+ 491.19561 205.7
[M+H-H2O]+ 435.22971 195.2
[M+HCOO]- 497.23065 224.0
[M+CH3COO]- 511.24630 216.1
[M+Na-2H]- 473.20712 209.8
[M]+ 452.23190 205.8
[M]- 452.23300 205.8
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.