CID 3074390

1,8-naphthyridine-3-carboxamide, 4-chloro-2-(cyclopropylamino)-n,n-dibutyl-

Structural Information

Molecular Formula
C20H27ClN4O
SMILES
CCCCN(CCCC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NC3CC3
InChI
InChI=1S/C20H27ClN4O/c1-3-5-12-25(13-6-4-2)20(26)16-17(21)15-8-7-11-22-18(15)24-19(16)23-14-9-10-14/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,22,23,24)
InChIKey
PBIDUUPALMPRFX-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-chloro-2-(cyclopropylamino)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.18735 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19463 192.7
[M+Na]+ 397.17657 200.1
[M-H]- 373.18007 198.1
[M+NH4]+ 392.22117 199.6
[M+K]+ 413.15051 193.1
[M+H-H2O]+ 357.18461 183.2
[M+HCOO]- 419.18555 208.7
[M+CH3COO]- 433.20120 228.3
[M+Na-2H]- 395.16202 194.7
[M]+ 374.18680 199.9
[M]- 374.18790 199.9
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.