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

literature stripe

Patent stripe

patents stripe