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]+ 257.110696 157.7
[M+Na]+ 279.092638 163.3
[M-H]- 255.096144 164.7
[M+NH4]+ 274.137243 174.7
[M+K]+ 295.066578 158.2
[M+H-H2O]+ 239.100680 149.6
[M+HCOO]- 301.101621 178.7
[M+CH3COO]- 315.117271 199.1
[M+Na-2H]- 277.078086 161.6
[M]+ 256.10287142 157.3
[M]- 256.10396858 157.3
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.