CID 5277306

(3-benzylphenyl)thiourea

Structural Information

Molecular Formula
C14H14N2S
SMILES
C1=CC=C(C=C1)CC2=CC(=CC=C2)NC(=S)N
InChI
InChI=1S/C14H14N2S/c15-14(17)16-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H3,15,16,17)
InChIKey
LDXFKNPMJRMPKT-UHFFFAOYSA-N
Compound name
(3-benzylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 153.1
[M+Na]+ 265.07699 159.4
[M-H]- 241.08049 159.2
[M+NH4]+ 260.12159 170.1
[M+K]+ 281.05093 153.7
[M+H-H2O]+ 225.08503 145.6
[M+HCOO]- 287.08597 172.8
[M+CH3COO]- 301.10162 195.4
[M+Na-2H]- 263.06244 156.3
[M]+ 242.08722 151.0
[M]- 242.08832 151.0
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

patents stripe