CID 488512

Schembl7500067

Structural Information

Molecular Formula
C20H24FN3O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCOC(C4)CNC
InChI
InChI=1S/C20H24FN3O4/c1-11-17-14(12-3-4-12)7-15(20(26)27)19(25)24(17)10-16(21)18(11)23-5-6-28-13(9-23)8-22-2/h7,10,12-13,22H,3-6,8-9H2,1-2H3,(H,26,27)
InChIKey
RBHFGMSVORPSBS-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-8-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

389.17508 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18236 195.6
[M+Na]+ 412.16430 204.6
[M-H]- 388.16780 202.0
[M+NH4]+ 407.20890 198.9
[M+K]+ 428.13824 198.8
[M+H-H2O]+ 372.17234 185.1
[M+HCOO]- 434.17328 208.4
[M+CH3COO]- 448.18893 226.3
[M+Na-2H]- 410.14975 194.6
[M]+ 389.17453 197.0
[M]- 389.17563 197.0
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