CID 5332764

113875-20-0

Structural Information

Molecular Formula
C13H12N2OS
SMILES
C/C(=N/NC(=O)C1=CC=CC=C1)/C2=CC=CS2
InChI
InChI=1S/C13H12N2OS/c1-10(12-8-5-9-17-12)14-15-13(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,15,16)/b14-10-
InChIKey
FDMVTSJWRWLLPM-UVTDQMKNSA-N
Compound name
N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.06703 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 155.5
[M+Na]+ 267.05625 161.8
[M-H]- 243.05975 163.8
[M+NH4]+ 262.10085 174.9
[M+K]+ 283.03019 158.5
[M+H-H2O]+ 227.06429 148.1
[M+HCOO]- 289.06523 177.9
[M+CH3COO]- 303.08088 195.7
[M+Na-2H]- 265.04170 157.7
[M]+ 244.06648 156.5
[M]- 244.06758 156.5
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.