CID 6479842

Dtxsid601118973

Structural Information

Molecular Formula
C23H27N5O
SMILES
CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)C
InChI
InChI=1S/C23H27N5O/c1-18-21(17-27-14-12-26(2)13-15-27)16-22(19-6-4-3-5-7-19)28(18)25-23(29)20-8-10-24-11-9-20/h3-11,16H,12-15,17H2,1-2H3,(H,25,29)
InChIKey
KATYKDYLWMDTCI-UHFFFAOYSA-N
Compound name
N-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-phenylpyrrol-1-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.22156 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.22884 196.9
[M+Na]+ 412.21078 201.5
[M-H]- 388.21428 203.7
[M+NH4]+ 407.25538 203.4
[M+K]+ 428.18472 194.4
[M+H-H2O]+ 372.21882 183.6
[M+HCOO]- 434.21976 212.1
[M+CH3COO]- 448.23541 204.1
[M+Na-2H]- 410.19623 195.6
[M]+ 389.22101 193.1
[M]- 389.22211 193.1
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.