CID 3009598

1-cyclopentyl-7-(cyclopentylamino)-6-nitro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C20H23N3O5
SMILES
C1CCC(C1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CCCC4)[N+](=O)[O-]
InChI
InChI=1S/C20H23N3O5/c24-19-14-9-18(23(27)28)16(21-12-5-1-2-6-12)10-17(14)22(11-15(19)20(25)26)13-7-3-4-8-13/h9-13,21H,1-8H2,(H,25,26)
InChIKey
JUWUNINRPONOOB-UHFFFAOYSA-N
Compound name
1-cyclopentyl-7-(cyclopentylamino)-6-nitro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.16376 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17104 187.1
[M+Na]+ 408.15298 189.4
[M-H]- 384.15648 194.9
[M+NH4]+ 403.19758 199.0
[M+K]+ 424.12692 181.2
[M+H-H2O]+ 368.16102 183.5
[M+HCOO]- 430.16196 205.0
[M+CH3COO]- 444.17761 212.9
[M+Na-2H]- 406.13843 186.8
[M]+ 385.16321 181.0
[M]- 385.16431 181.0
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.