CID 54680439

Nsc675814

Structural Information

Molecular Formula
C18H26N3O3
SMILES
CCC[N+](C)(C)CCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C18H25N3O3/c1-4-11-21(2,3)12-7-10-19-17(23)15-16(22)13-8-5-6-9-14(13)20-18(15)24/h5-6,8-9H,4,7,10-12H2,1-3H3,(H2-,19,20,22,23,24)/p+1
InChIKey
SRGFFRNUGYGDKE-UHFFFAOYSA-O
Compound name
3-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethyl-propylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19742 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20470 177.8
[M+Na]+ 355.18664 183.3
[M-H]- 331.19014 179.6
[M+NH4]+ 350.23124 190.3
[M+K]+ 371.16058 173.4
[M+H-H2O]+ 315.19468 172.9
[M+HCOO]- 377.19562 196.2
[M+CH3COO]- 391.21127 207.3
[M+Na-2H]- 353.17209 185.3
[M]+ 332.19687 177.9
[M]- 332.19797 177.9
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.