CID 145711228

2148010-95-9

Structural Information

Molecular Formula
C15H17N3O2S
SMILES
C1CN(CC2=C1SC(=N2)CN)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H17N3O2S/c16-8-14-17-12-9-18(7-6-13(12)21-14)15(19)20-10-11-4-2-1-3-5-11/h1-5H,6-10,16H2
InChIKey
WYMUCBBMVWXWMA-UHFFFAOYSA-N
Compound name
benzyl 2-(aminomethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10416 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11144 167.8
[M+Na]+ 326.09338 178.6
[M+NH4]+ 321.13798 175.6
[M+K]+ 342.06732 172.1
[M-H]- 302.09688 170.9
[M+Na-2H]- 324.07883 173.0
[M]+ 303.10361 170.4
[M]- 303.10471 170.4
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.