CID 499750

{6-[(4-{3-[(methylethyl)amino](2-pyridyl)}piperazinyl)carbonyl](3-pyridyl)}-n-(2-morpholin-2-ylethyl)carboxamide

Structural Information

Molecular Formula
C25H35N7O3
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)NCCC4CNCCO4
InChI
InChI=1S/C25H35N7O3/c1-18(2)30-21-4-3-8-27-23(21)31-11-13-32(14-12-31)25(34)22-6-5-19(16-29-22)24(33)28-9-7-20-17-26-10-15-35-20/h3-6,8,16,18,20,26,30H,7,9-15,17H2,1-2H3,(H,28,33)
InChIKey
VQWNSGVYIQRRRP-UHFFFAOYSA-N
Compound name
N-(2-morpholin-2-ylethyl)-6-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

481.28015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.28743 217.6
[M+Na]+ 504.26937 215.9
[M-H]- 480.27287 220.5
[M+NH4]+ 499.31397 213.8
[M+K]+ 520.24331 210.8
[M+H-H2O]+ 464.27741 202.8
[M+HCOO]- 526.27835 223.0
[M+CH3COO]- 540.29400 240.7
[M+Na-2H]- 502.25482 215.8
[M]+ 481.27960 208.8
[M]- 481.28070 208.8
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.