CID 504039

Acetanilide, 4'-formyl-,2-benzothiazolylhydrazone

Structural Information

Molecular Formula
C16H14N4OS
SMILES
CC(=NC1=CC=C(C=C1)C=O)NNC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H14N4OS/c1-11(17-13-8-6-12(10-21)7-9-13)19-20-16-18-14-4-2-3-5-15(14)22-16/h2-10H,1H3,(H,17,19)(H,18,20)
InChIKey
JJXKBSJNDUKHDQ-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-ylamino)-N'-(4-formylphenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08884 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09612 167.9
[M+Na]+ 333.07806 176.6
[M-H]- 309.08156 176.3
[M+NH4]+ 328.12266 184.6
[M+K]+ 349.05200 171.1
[M+H-H2O]+ 293.08610 159.4
[M+HCOO]- 355.08704 191.5
[M+CH3COO]- 369.10269 180.1
[M+Na-2H]- 331.06351 173.7
[M]+ 310.08829 171.6
[M]- 310.08939 171.6
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.