CID 479808

8-((s)-3-amino-pyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-3-(2-nitro-ethanoyl)-quinolizin-4-one

Structural Information

Molecular Formula
C19H21FN4O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)C[N+](=O)[O-])C3CC3)F)N4CC[C@@H](C4)N
InChI
InChI=1S/C19H21FN4O4/c1-10-17-13(11-2-3-11)6-14(16(25)9-24(27)28)19(26)23(17)8-15(20)18(10)22-5-4-12(21)7-22/h6,8,11-12H,2-5,7,9,21H2,1H3/t12-/m0/s1
InChIKey
PIVDTTPTGJDOCX-LBPRGKRZSA-N
Compound name
8-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-3-(2-nitroacetyl)quinolizin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1547 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16198 184.4
[M+Na]+ 411.14392 192.7
[M-H]- 387.14742 191.4
[M+NH4]+ 406.18852 190.2
[M+K]+ 427.11786 181.3
[M+H-H2O]+ 371.15196 179.9
[M+HCOO]- 433.15290 202.1
[M+CH3COO]- 447.16855 220.8
[M+Na-2H]- 409.12937 184.5
[M]+ 388.15415 183.3
[M]- 388.15525 183.3
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

No patent data available for this compound.