CID 483501

113533-65-6

Structural Information

Molecular Formula
C18H21FN4O3
SMILES
CNCC1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
InChI
InChI=1S/C18H21FN4O3/c1-20-7-10-4-5-22(8-10)17-14(19)6-12-15(24)13(18(25)26)9-23(11-2-3-11)16(12)21-17/h6,9-11,20H,2-5,7-8H2,1H3,(H,25,26)
InChIKey
YIDARVDQIDLREN-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

360.15976 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16704 187.4
[M+Na]+ 383.14898 197.2
[M-H]- 359.15248 192.3
[M+NH4]+ 378.19358 193.5
[M+K]+ 399.12292 189.3
[M+H-H2O]+ 343.15702 177.8
[M+HCOO]- 405.15796 202.7
[M+CH3COO]- 419.17361 218.9
[M+Na-2H]- 381.13443 185.8
[M]+ 360.15921 188.3
[M]- 360.16031 188.3
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.