CID 510384

1-cyclopropyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CC1CN(CCN1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC
InChI
InChI=1S/C19H23N3O4/c1-11-9-21(8-7-20-11)15-6-5-13-16(18(15)26-2)22(12-3-4-12)10-14(17(13)23)19(24)25/h5-6,10-12,20H,3-4,7-9H2,1-2H3,(H,24,25)
InChIKey
FMQKPIVQURNJBR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.16885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 192.7
[M+Na]+ 380.15807 201.5
[M-H]- 356.16157 196.8
[M+NH4]+ 375.20267 196.5
[M+K]+ 396.13201 194.1
[M+H-H2O]+ 340.16611 183.1
[M+HCOO]- 402.16705 204.2
[M+CH3COO]- 416.18270 215.0
[M+Na-2H]- 378.14352 191.6
[M]+ 357.16830 192.9
[M]- 357.16940 192.9
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.