CID 54680435

Nsc675812

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CN(C)CCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C15H19N3O3/c1-18(2)9-5-8-16-14(20)12-13(19)10-6-3-4-7-11(10)17-15(12)21/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,20)(H2,17,19,21)
InChIKey
YDNNNAKMFDZGTB-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

289.14264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.149916 165.8
[M+Na]+ 312.131858 172.4
[M-H]- 288.135364 167.8
[M+NH4]+ 307.176463 180.0
[M+K]+ 328.105798 169.0
[M+H-H2O]+ 272.139900 158.0
[M+HCOO]- 334.140841 186.4
[M+CH3COO]- 348.156491 206.5
[M+Na-2H]- 310.117306 170.1
[M]+ 289.14209142 166.6
[M]- 289.14318858 166.6
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

patents stripe