CID 838375

N,n'-dibenzylthiourea

Structural Information

Molecular Formula
C15H16N2S
SMILES
C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2
InChI
InChI=1S/C15H16N2S/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
InChIKey
LQZPSWMMTICWHD-UHFFFAOYSA-N
Compound name
1,3-dibenzylthiourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

203
Patents

256.10342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11070 157.0
[M+Na]+ 279.09264 162.1
[M-H]- 255.09614 163.1
[M+NH4]+ 274.13724 173.5
[M+K]+ 295.06658 156.5
[M+H-H2O]+ 239.10068 149.1
[M+HCOO]- 301.10162 177.1
[M+CH3COO]- 315.11727 197.2
[M+Na-2H]- 277.07809 161.5
[M]+ 256.10287 155.8
[M]- 256.10397 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe