CID 479613

Schembl8565118

Structural Information

Molecular Formula
C21H26FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)C(C)(C)N
InChI
InChI=1S/C21H26FN3O3/c1-11-17-14(12-4-5-12)8-15(20(27)28)19(26)25(17)10-16(22)18(11)24-7-6-13(9-24)21(2,3)23/h8,10,12-13H,4-7,9,23H2,1-3H3,(H,27,28)
InChIKey
UKEKVRSZHJJHOC-UHFFFAOYSA-N
Compound name
8-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

387.19583 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20311 192.1
[M+Na]+ 410.18505 201.6
[M-H]- 386.18855 198.0
[M+NH4]+ 405.22965 198.6
[M+K]+ 426.15899 194.0
[M+H-H2O]+ 370.19309 184.2
[M+HCOO]- 432.19403 205.4
[M+CH3COO]- 446.20968 225.9
[M+Na-2H]- 408.17050 189.1
[M]+ 387.19528 192.7
[M]- 387.19638 192.7
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.