CID 488349

Chembl151390

Structural Information

Molecular Formula
C18H21FN4O3
SMILES
CCC1=C2C(=O)C(=CN(C2=NC(=C1F)N3CCNCC3)C4CC4)C(=O)O
InChI
InChI=1S/C18H21FN4O3/c1-2-11-13-15(24)12(18(25)26)9-23(10-3-4-10)16(13)21-17(14(11)19)22-7-5-20-6-8-22/h9-10,20H,2-8H2,1H3,(H,25,26)
InChIKey
FSFABDPINDVJIX-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

360.15976 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16704 196.2
[M+Na]+ 383.14898 205.6
[M-H]- 359.15248 197.7
[M+NH4]+ 378.19358 198.5
[M+K]+ 399.12292 196.6
[M+H-H2O]+ 343.15702 185.0
[M+HCOO]- 405.15796 205.5
[M+CH3COO]- 419.17361 202.5
[M+Na-2H]- 381.13443 194.5
[M]+ 360.15921 194.0
[M]- 360.16031 194.0
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.