CID 1948411

Thiocyanic acid, diphenylcarbamoylmethyl ester

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC#N
InChI
InChI=1S/C15H12N2OS/c16-12-19-11-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11H2
InChIKey
AUTSTFRIQMAXAQ-UHFFFAOYSA-N
Compound name
[2-oxo-2-(N-phenylanilino)ethyl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06705 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.074326 169.6
[M+Na]+ 291.056268 178.1
[M-H]- 267.059774 176.1
[M+NH4]+ 286.100873 184.5
[M+K]+ 307.030208 173.1
[M+H-H2O]+ 251.064310 155.1
[M+HCOO]- 313.065251 185.5
[M+CH3COO]- 327.080901 209.9
[M+Na-2H]- 289.041716 171.7
[M]+ 268.06650142 166.2
[M]- 268.06759858 166.2
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.