CID 351419

1,3-benzothiazole-2-carbohydrazide

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CC=C2C(=C1)N=C(S2)C(=O)NN
InChI
InChI=1S/C8H7N3OS/c9-11-7(12)8-10-5-3-1-2-4-6(5)13-8/h1-4H,9H2,(H,11,12)
InChIKey
GYADLBSESMQVEF-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

76
Patents

193.03099 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.038266 135.6
[M+Na]+ 216.020208 145.7
[M-H]- 192.023714 139.5
[M+NH4]+ 211.064813 156.7
[M+K]+ 231.994148 142.1
[M+H-H2O]+ 176.028250 129.5
[M+HCOO]- 238.029191 157.0
[M+CH3COO]- 252.044841 149.5
[M+Na-2H]- 214.005656 141.3
[M]+ 193.03044142 137.2
[M]- 193.03153858 137.2
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