CID 479630

8-(4-amino-1,3-dihydro-isoindol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C22H20FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC5=C(C4)C(=CC=C5)N
InChI
InChI=1S/C22H20FN3O3/c1-11-19-14(12-5-6-12)7-15(22(28)29)21(27)26(19)10-17(23)20(11)25-8-13-3-2-4-18(24)16(13)9-25/h2-4,7,10,12H,5-6,8-9,24H2,1H3,(H,28,29)
InChIKey
TZXWXPFZSAYOIV-UHFFFAOYSA-N
Compound name
8-(4-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.14886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15614 193.0
[M+Na]+ 416.13808 204.8
[M-H]- 392.14158 200.2
[M+NH4]+ 411.18268 200.1
[M+K]+ 432.11202 195.8
[M+H-H2O]+ 376.14612 184.2
[M+HCOO]- 438.14706 208.4
[M+CH3COO]- 452.16271 202.0
[M+Na-2H]- 414.12353 191.1
[M]+ 393.14831 194.9
[M]- 393.14941 194.9
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.