CID 3506464

N-(2-thiazolyl)-1h-benzotriazole-1-carbothioamide

Structural Information

Molecular Formula
C10H7N5S2
SMILES
C1=CC=C2C(=C1)N=NN2C(=S)NC3=NC=CS3
InChI
InChI=1S/C10H7N5S2/c16-10(12-9-11-5-6-17-9)15-8-4-2-1-3-7(8)13-14-15/h1-6H,(H,11,12,16)
InChIKey
HQCYBFVKEAZBJE-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

261.01428 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02156 151.5
[M+Na]+ 284.00350 164.8
[M-H]- 260.00700 156.0
[M+NH4]+ 279.04810 169.0
[M+K]+ 299.97744 159.4
[M+H-H2O]+ 244.01154 145.1
[M+HCOO]- 306.01248 165.5
[M+CH3COO]- 320.02813 164.4
[M+Na-2H]- 281.98895 153.8
[M]+ 261.01373 155.6
[M]- 261.01483 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe