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]+ 269.07433 169.6
[M+Na]+ 291.05627 178.1
[M-H]- 267.05977 176.1
[M+NH4]+ 286.10087 184.5
[M+K]+ 307.03021 173.1
[M+H-H2O]+ 251.06431 155.1
[M+HCOO]- 313.06525 185.5
[M+CH3COO]- 327.08090 209.9
[M+Na-2H]- 289.04172 171.7
[M]+ 268.06650 166.2
[M]- 268.06760 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.