CID 499760

Chembl92522

Structural Information

Molecular Formula
C23H30N6O2
SMILES
CC(C)CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NC4CC4
InChI
InChI=1S/C23H30N6O2/c1-16(2)14-25-19-4-3-9-24-21(19)28-10-12-29(13-11-28)23(31)20-8-5-17(15-26-20)22(30)27-18-6-7-18/h3-5,8-9,15-16,18,25H,6-7,10-14H2,1-2H3,(H,27,30)
InChIKey
FIGNHOCWXIPQJV-UHFFFAOYSA-N
Compound name
N-cyclopropyl-6-[4-[3-(2-methylpropylamino)pyridin-2-yl]piperazine-1-carbonyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.25028 207.8
[M+Na]+ 445.23222 211.3
[M-H]- 421.23572 214.0
[M+NH4]+ 440.27682 206.5
[M+K]+ 461.20616 204.3
[M+H-H2O]+ 405.24026 195.7
[M+HCOO]- 467.24120 221.9
[M+CH3COO]- 481.25685 233.7
[M+Na-2H]- 443.21767 207.0
[M]+ 422.24245 205.5
[M]- 422.24355 205.5
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.