CID 3074386

1,8-naphthyridine-3-carboxamide, 4-chloro-2-(cyclohexylamino)-n,n-dipropyl-

Structural Information

Molecular Formula
C21H29ClN4O
SMILES
CCCN(CCC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NC3CCCCC3
InChI
InChI=1S/C21H29ClN4O/c1-3-13-26(14-4-2)21(27)17-18(22)16-11-8-12-23-19(16)25-20(17)24-15-9-6-5-7-10-15/h8,11-12,15H,3-7,9-10,13-14H2,1-2H3,(H,23,24,25)
InChIKey
KRGCHUHRUYDJDD-UHFFFAOYSA-N
Compound name
4-chloro-2-(cyclohexylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.203 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21028 195.4
[M+Na]+ 411.19222 199.0
[M-H]- 387.19572 199.6
[M+NH4]+ 406.23682 205.7
[M+K]+ 427.16616 193.3
[M+H-H2O]+ 371.20026 184.7
[M+HCOO]- 433.20120 207.4
[M+CH3COO]- 447.21685 228.6
[M+Na-2H]- 409.17767 196.4
[M]+ 388.20245 195.6
[M]- 388.20355 195.6
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.