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

literature stripe

Patent stripe

patents stripe