CID 68856624

1029364-65-5

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1CNCCN1C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H22FN3O4/c1-10-8-21-5-6-22(10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
InChIKey
NCPTXLFFAMTMBW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-8-methoxy-7-(2-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

375.15942 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.166696 195.1
[M+Na]+ 398.148638 204.6
[M-H]- 374.152144 198.2
[M+NH4]+ 393.193243 198.3
[M+K]+ 414.122578 196.7
[M+H-H2O]+ 358.156680 184.6
[M+HCOO]- 420.157621 205.4
[M+CH3COO]- 434.173271 218.8
[M+Na-2H]- 396.134086 192.7
[M]+ 375.15887142 194.7
[M]- 375.15996858 194.7
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

patents stripe