CID 3074385

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

Structural Information

Molecular Formula
C18H23ClN4O
SMILES
CCCN(CCC)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NCC=C
InChI
InChI=1S/C18H23ClN4O/c1-4-9-20-17-14(18(24)23(11-5-2)12-6-3)15(19)13-8-7-10-21-16(13)22-17/h4,7-8,10H,1,5-6,9,11-12H2,2-3H3,(H,20,21,22)
InChIKey
ZJXLUKUCHQLYSA-UHFFFAOYSA-N
Compound name
4-chloro-2-(prop-2-enylamino)-N,N-dipropyl-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15604 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16332 184.2
[M+Na]+ 369.14526 191.4
[M-H]- 345.14876 186.7
[M+NH4]+ 364.18986 197.1
[M+K]+ 385.11920 185.6
[M+H-H2O]+ 329.15330 175.3
[M+HCOO]- 391.15424 200.5
[M+CH3COO]- 405.16989 222.0
[M+Na-2H]- 367.13071 187.3
[M]+ 346.15549 189.5
[M]- 346.15659 189.5
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.