CID 461416

Pd 136576

Structural Information

Molecular Formula
C17H21FN4O3
SMILES
CNCCCN(C)C1=C(C=C2C(=O)C(=CN(C2=N1)C3CC3)C(=O)O)F
InChI
InChI=1S/C17H21FN4O3/c1-19-6-3-7-21(2)16-13(18)8-11-14(23)12(17(24)25)9-22(10-4-5-10)15(11)20-16/h8-10,19H,3-7H2,1-2H3,(H,24,25)
InChIKey
JSKBCDNUXIDSFQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-[methyl-[3-(methylamino)propyl]amino]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.15976 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16704 183.0
[M+Na]+ 371.14898 192.6
[M-H]- 347.15248 187.6
[M+NH4]+ 366.19358 189.8
[M+K]+ 387.12292 186.5
[M+H-H2O]+ 331.15702 173.4
[M+HCOO]- 393.15796 202.3
[M+CH3COO]- 407.17361 223.5
[M+Na-2H]- 369.13443 184.8
[M]+ 348.15921 187.7
[M]- 348.16031 187.7
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.