CID 25204357

Schembl196264

Structural Information

Molecular Formula
C17H17N5O4S
SMILES
COC1CN(CC1N)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O
InChI
InChI=1S/C17H17N5O4S/c1-26-12-8-21(7-11(12)18)13-3-2-9-14(23)10(16(24)25)6-22(15(9)20-13)17-19-4-5-27-17/h2-6,11-12H,7-8,18H2,1H3,(H,24,25)
InChIKey
OCFVOHOLUYXSQZ-UHFFFAOYSA-N
Compound name
7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

387.10013 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10741 187.2
[M+Na]+ 410.08935 197.9
[M-H]- 386.09285 193.5
[M+NH4]+ 405.13395 197.8
[M+K]+ 426.06329 192.5
[M+H-H2O]+ 370.09739 179.4
[M+HCOO]- 432.09833 201.0
[M+CH3COO]- 446.11398 197.1
[M+Na-2H]- 408.07480 184.6
[M]+ 387.09958 191.3
[M]- 387.10068 191.3
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.