CID 5277350

Tritylthiourea

Structural Information

Molecular Formula
C20H18N2S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=S)N
InChI
InChI=1S/C20H18N2S/c21-19(23)22-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H3,21,22,23)
InChIKey
DOFNIDPLSQZBSU-UHFFFAOYSA-N
Compound name
tritylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

318.11908 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12636 173.4
[M+Na]+ 341.10830 178.2
[M-H]- 317.11180 181.8
[M+NH4]+ 336.15290 186.5
[M+K]+ 357.08224 171.0
[M+H-H2O]+ 301.11634 164.8
[M+HCOO]- 363.11728 191.2
[M+CH3COO]- 377.13293 183.2
[M+Na-2H]- 339.09375 178.1
[M]+ 318.11853 170.0
[M]- 318.11963 170.0
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.