CID 39870377

5-benzyl-4h,5h,6h,7h-[1,3]thiazolo[4,5-c]pyridin-2-amine

Structural Information

Molecular Formula
C13H15N3S
SMILES
C1CN(CC2=C1SC(=N2)N)CC3=CC=CC=C3
InChI
InChI=1S/C13H15N3S/c14-13-15-11-9-16(7-6-12(11)17-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15)
InChIKey
VISLXHVJSCZPQV-UHFFFAOYSA-N
Compound name
5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09866 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10594 152.5
[M+Na]+ 268.08788 160.9
[M-H]- 244.09138 157.0
[M+NH4]+ 263.13248 170.3
[M+K]+ 284.06182 155.6
[M+H-H2O]+ 228.09592 144.9
[M+HCOO]- 290.09686 168.1
[M+CH3COO]- 304.11251 164.2
[M+Na-2H]- 266.07333 154.9
[M]+ 245.09811 150.9
[M]- 245.09921 150.9
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.