CID 488597

Schembl8561869

Structural Information

Molecular Formula
C20H22FN3O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@@H](C4)NC(=O)C
InChI
InChI=1S/C20H22FN3O4/c1-10-17-14(12-3-4-12)7-15(20(27)28)19(26)24(17)9-16(21)18(10)23-6-5-13(8-23)22-11(2)25/h7,9,12-13H,3-6,8H2,1-2H3,(H,22,25)(H,27,28)/t13-/m0/s1
InChIKey
BUJAEEHJAZZZMR-ZDUSSCGKSA-N
Compound name
8-[(3S)-3-acetamidopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

387.15942 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16670 189.5
[M+Na]+ 410.14864 199.1
[M-H]- 386.15214 196.0
[M+NH4]+ 405.19324 196.0
[M+K]+ 426.12258 191.8
[M+H-H2O]+ 370.15668 181.2
[M+HCOO]- 432.15762 204.7
[M+CH3COO]- 446.17327 225.0
[M+Na-2H]- 408.13409 185.9
[M]+ 387.15887 191.3
[M]- 387.15997 191.3
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.