CID 87856327

864443-44-7

Structural Information

Molecular Formula
C17H17FN4O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)N=O)F)C(=O)O
InChI
InChI=1S/C17H17FN4O4/c18-13-7-11-14(8-15(13)20-3-5-21(19-26)6-4-20)22(10-1-2-10)9-12(16(11)23)17(24)25/h7-10H,1-6H2,(H,24,25)
InChIKey
ANFWNIUBWKCSEU-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(4-nitrosopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

360.12338 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.130656 190.5
[M+Na]+ 383.112598 200.4
[M-H]- 359.116104 196.1
[M+NH4]+ 378.157203 195.0
[M+K]+ 399.086538 193.6
[M+H-H2O]+ 343.120640 179.4
[M+HCOO]- 405.121581 205.6
[M+CH3COO]- 419.137231 220.4
[M+Na-2H]- 381.098046 191.1
[M]+ 360.12283142 191.1
[M]- 360.12392858 191.1
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

patents stripe