CID 488354

Chembl440728

Structural Information

Molecular Formula
C18H21FN4O3
SMILES
CCC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CC[C@@H](C3)N)C4CC4)C(=O)O
InChI
InChI=1S/C18H21FN4O3/c1-2-11-13-15(24)12(18(25)26)8-23(10-3-4-10)16(13)21-17(14(11)19)22-6-5-9(20)7-22/h8-10H,2-7,20H2,1H3,(H,25,26)/t9-/m0/s1
InChIKey
LVMWCYJZLPCLKD-VIFPVBQESA-N
Compound name
7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-5-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

360.15976 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16704 188.1
[M+Na]+ 383.14898 198.8
[M-H]- 359.15248 193.0
[M+NH4]+ 378.19358 194.3
[M+K]+ 399.12292 190.5
[M+H-H2O]+ 343.15702 179.0
[M+HCOO]- 405.15796 202.8
[M+CH3COO]- 419.17361 219.7
[M+Na-2H]- 381.13443 184.9
[M]+ 360.15921 188.6
[M]- 360.16031 188.6
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.