CID 479552

Schembl5279980

Structural Information

Molecular Formula
C18H20FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCNCC4
InChI
InChI=1S/C18H20FN3O3/c1-10-15-12(11-2-3-11)8-13(18(24)25)17(23)22(15)9-14(19)16(10)21-6-4-20-5-7-21/h8-9,11,20H,2-7H2,1H3,(H,24,25)
InChIKey
QTVFRHCULWOSSR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-piperazin-1-ylquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

345.14886 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15614 187.3
[M+Na]+ 368.13808 196.7
[M-H]- 344.14158 190.3
[M+NH4]+ 363.18268 191.6
[M+K]+ 384.11202 188.5
[M+H-H2O]+ 328.14612 176.9
[M+HCOO]- 390.14706 198.0
[M+CH3COO]- 404.16271 194.7
[M+Na-2H]- 366.12353 186.1
[M]+ 345.14831 184.8
[M]- 345.14941 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe