CID 483601

104866-27-5

Structural Information

Molecular Formula
C18H21FN4O3
SMILES
CC1CN(CC(N1)C)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
InChI
InChI=1S/C18H21FN4O3/c1-9-6-22(7-10(2)20-9)17-14(19)5-12-15(24)13(18(25)26)8-23(11-3-4-11)16(12)21-17/h5,8-11,20H,3-4,6-7H2,1-2H3,(H,25,26)
InChIKey
IHXOWWUOIXXBCB-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

360.15976 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16704 197.1
[M+Na]+ 383.14898 207.4
[M-H]- 359.15248 199.0
[M+NH4]+ 378.19358 199.7
[M+K]+ 399.12292 198.3
[M+H-H2O]+ 343.15702 186.2
[M+HCOO]- 405.15796 206.3
[M+CH3COO]- 419.17361 203.7
[M+Na-2H]- 381.13443 194.6
[M]+ 360.15921 195.4
[M]- 360.16031 195.4
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.