CID 3293177

1-(4-methylbenzyl)-3-phenyl-2-thiourea

Structural Information

Molecular Formula
C15H16N2S
SMILES
CC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2S/c1-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKey
YDKMUNICSUMECU-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)methyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

256.10342 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11070 157.3
[M+Na]+ 279.09264 163.3
[M-H]- 255.09614 163.8
[M+NH4]+ 274.13724 174.1
[M+K]+ 295.06658 157.8
[M+H-H2O]+ 239.10068 149.6
[M+HCOO]- 301.10162 177.4
[M+CH3COO]- 315.11727 198.3
[M+Na-2H]- 277.07809 161.1
[M]+ 256.10287 156.5
[M]- 256.10397 156.5
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