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 168.2
[M+Na]+ 326.09338 175.1
[M-H]- 302.09688 172.5
[M+NH4]+ 321.13798 183.4
[M+K]+ 342.06732 170.6
[M+H-H2O]+ 286.10142 160.1
[M+HCOO]- 348.10236 182.6
[M+CH3COO]- 362.11801 178.5
[M+Na-2H]- 324.07883 168.9
[M]+ 303.10361 168.5
[M]- 303.10471 168.5
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.