CID 2435403

4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzohydrazide

Structural Information

Molecular Formula
C15H13N3OS2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NN
InChI
InChI=1S/C15H13N3OS2/c16-18-14(19)11-7-5-10(6-8-11)9-20-15-17-12-3-1-2-4-13(12)21-15/h1-8H,9,16H2,(H,18,19)
InChIKey
YOTGUBMIVSMJKC-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

315.05002 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05730 165.9
[M+Na]+ 338.03924 175.6
[M-H]- 314.04274 172.1
[M+NH4]+ 333.08384 182.2
[M+K]+ 354.01318 168.5
[M+H-H2O]+ 298.04728 159.1
[M+HCOO]- 360.04822 181.1
[M+CH3COO]- 374.06387 177.3
[M+Na-2H]- 336.02469 169.0
[M]+ 315.04947 169.1
[M]- 315.05057 169.1
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

No patent data available for this compound.