CID 3056805

73840-00-3

Structural Information

Molecular Formula
C15H16N2S
SMILES
C1=CC=C(C=C1)CN=C(N)SCC2=CC=CC=C2
InChI
InChI=1S/C15H16N2S/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17)
InChIKey
KENIAHUYYCEHDD-UHFFFAOYSA-N
Compound name
benzyl N'-benzylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10342 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11070 158.0
[M+Na]+ 279.09264 170.6
[M+NH4]+ 274.13724 167.6
[M+K]+ 295.06658 160.1
[M-H]- 255.09614 164.6
[M+Na-2H]- 277.07809 167.9
[M]+ 256.10287 162.1
[M]- 256.10397 162.1
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.