CID 488510

Schembl7507211

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CC1CN(CCN1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C
InChI
InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)17-11(2)16-13(12-3-4-12)7-14(19(25)26)18(24)23(16)9-15(17)20/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)
InChIKey
QQDOXSSVHXMGIO-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-8-(3-methylpiperazin-1-yl)-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

359.16452 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 191.9
[M+Na]+ 382.15374 201.8
[M-H]- 358.15724 195.1
[M+NH4]+ 377.19834 196.0
[M+K]+ 398.12768 193.3
[M+H-H2O]+ 342.16178 181.6
[M+HCOO]- 404.16272 202.2
[M+CH3COO]- 418.17837 199.2
[M+Na-2H]- 380.13919 189.5
[M]+ 359.16397 190.2
[M]- 359.16507 190.2
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