CID 3009603

7-(cyclopropylamino)-1-morpholino-6-nitro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H18N4O6
SMILES
C1CC1NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)N4CCOCC4)[N+](=O)[O-]
InChI
InChI=1S/C17H18N4O6/c22-16-11-7-15(21(25)26)13(18-10-1-2-10)8-14(11)20(9-12(16)17(23)24)19-3-5-27-6-4-19/h7-10,18H,1-6H2,(H,23,24)
InChIKey
RALPFCFLMIDENL-UHFFFAOYSA-N
Compound name
7-(cyclopropylamino)-1-morpholin-4-yl-6-nitro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.12262 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12990 180.3
[M+Na]+ 397.11184 186.4
[M-H]- 373.11534 187.7
[M+NH4]+ 392.15644 182.5
[M+K]+ 413.08578 178.1
[M+H-H2O]+ 357.11988 175.2
[M+HCOO]- 419.12082 196.2
[M+CH3COO]- 433.13647 214.1
[M+Na-2H]- 395.09729 186.0
[M]+ 374.12207 179.3
[M]- 374.12317 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.