CID 4105821

Dimethyl-thiocarbamic acid o-biphenyl-3-yl ester

Structural Information

Molecular Formula
C15H15NOS
SMILES
CN(C)C(=S)OC1=CC=CC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H15NOS/c1-16(2)15(18)17-14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKey
UDTZHRVHSYEPEG-UHFFFAOYSA-N
Compound name
O-(3-phenylphenyl) N,N-dimethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08743 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09471 157.9
[M+Na]+ 280.07665 164.8
[M-H]- 256.08015 166.1
[M+NH4]+ 275.12125 175.6
[M+K]+ 296.05059 161.4
[M+H-H2O]+ 240.08469 150.2
[M+HCOO]- 302.08563 177.7
[M+CH3COO]- 316.10128 198.9
[M+Na-2H]- 278.06210 160.4
[M]+ 257.08688 160.5
[M]- 257.08798 160.5
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.