CID 4641791

5-amino-1-benzyl-1h-1,2,3-triazole-4-carbothioamide

Structural Information

Molecular Formula
C10H11N5S
SMILES
C1=CC=C(C=C1)CN2C(=C(N=N2)C(=S)N)N
InChI
InChI=1S/C10H11N5S/c11-9-8(10(12)16)13-14-15(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,16)
InChIKey
XQTIYEPLNKHOQF-UHFFFAOYSA-N
Compound name
5-amino-1-benzyltriazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.07352 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08080 149.4
[M+Na]+ 256.06274 160.1
[M+NH4]+ 251.10734 156.4
[M+K]+ 272.03668 154.9
[M-H]- 232.06624 152.1
[M+Na-2H]- 254.04819 155.7
[M]+ 233.07297 151.8
[M]- 233.07407 151.8
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.