CID 2735443

1-benzhydryl-2-thiourea

Structural Information

Molecular Formula
C14H14N2S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)N
InChI
InChI=1S/C14H14N2S/c15-14(17)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H3,15,16,17)
InChIKey
ORTDRGIAWHXESM-UHFFFAOYSA-N
Compound name
benzhydrylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

242.08777 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09505 153.5
[M+Na]+ 265.07699 158.6
[M-H]- 241.08049 159.3
[M+NH4]+ 260.12159 170.1
[M+K]+ 281.05093 153.5
[M+H-H2O]+ 225.08503 146.0
[M+HCOO]- 287.08597 172.2
[M+CH3COO]- 301.10162 195.1
[M+Na-2H]- 263.06244 156.4
[M]+ 242.08722 150.4
[M]- 242.08832 150.4
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