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]+ 358.176126 192.7
[M+Na]+ 380.158068 201.5
[M-H]- 356.161574 196.8
[M+NH4]+ 375.202673 196.5
[M+K]+ 396.132008 194.1
[M+H-H2O]+ 340.166110 183.1
[M+HCOO]- 402.167051 204.2
[M+CH3COO]- 416.182701 215.0
[M+Na-2H]- 378.143516 191.6
[M]+ 357.16830142 192.9
[M]- 357.16939858 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.