CID 1543129

2-(2-benzothiazolylthio)acetic acid 2-[(3-methoxyphenyl)methylene]hydrazide

Structural Information

Molecular Formula
C17H15N3O2S2
SMILES
COC1=CC=CC(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C17H15N3O2S2/c1-22-13-6-4-5-12(9-13)10-18-20-16(21)11-23-17-19-14-7-2-3-8-15(14)24-17/h2-10H,11H2,1H3,(H,20,21)
InChIKey
GXIWWMVCTOEXLT-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.06058 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.06786 179.0
[M+Na]+ 380.04980 188.2
[M-H]- 356.05330 186.7
[M+NH4]+ 375.09440 194.3
[M+K]+ 396.02374 181.8
[M+H-H2O]+ 340.05784 171.2
[M+HCOO]- 402.05878 195.9
[M+CH3COO]- 416.07443 190.1
[M+Na-2H]- 378.03525 182.4
[M]+ 357.06003 185.9
[M]- 357.06113 185.9
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.