CID 3074387

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

Structural Information

Molecular Formula
C18H23ClN4O
SMILES
CC(C)N(C(C)C)C(=O)C1=C(N=C2C(=C1Cl)C=CC=N2)NCC=C
InChI
InChI=1S/C18H23ClN4O/c1-6-9-20-17-14(18(24)23(11(2)3)12(4)5)15(19)13-8-7-10-21-16(13)22-17/h6-8,10-12H,1,9H2,2-5H3,(H,20,21,22)
InChIKey
RSJKLFOOZHBURS-UHFFFAOYSA-N
Compound name
4-chloro-N,N-di(propan-2-yl)-2-(prop-2-enylamino)-1,8-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15604 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16332 183.4
[M+Na]+ 369.14526 190.1
[M-H]- 345.14876 186.2
[M+NH4]+ 364.18986 196.2
[M+K]+ 385.11920 185.5
[M+H-H2O]+ 329.15330 175.1
[M+HCOO]- 391.15424 197.8
[M+CH3COO]- 405.16989 223.8
[M+Na-2H]- 367.13071 184.4
[M]+ 346.15549 187.7
[M]- 346.15659 187.7
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.