CID 6479836

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

Structural Information

Molecular Formula
C28H28FN5O
SMILES
CC1=CC(=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C28H28FN5O/c1-21-19-24(20-32-15-17-33(18-16-32)26-9-7-25(29)8-10-26)27(22-5-3-2-4-6-22)34(21)31-28(35)23-11-13-30-14-12-23/h2-14,19H,15-18,20H2,1H3,(H,31,35)
InChIKey
ILNUAGNCPPEMQS-UHFFFAOYSA-N
Compound name
N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-2-phenylpyrrol-1-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.22778 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.23506 215.7
[M+Na]+ 492.21700 220.0
[M-H]- 468.22050 223.9
[M+NH4]+ 487.26160 218.1
[M+K]+ 508.19094 210.8
[M+H-H2O]+ 452.22504 199.8
[M+HCOO]- 514.22598 228.9
[M+CH3COO]- 528.24163 221.0
[M+Na-2H]- 490.20245 212.7
[M]+ 469.22723 210.2
[M]- 469.22833 210.2
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.