CID 773303

N-(4-methoxybenzyl)-n'-phenylthiourea

Structural Information

Molecular Formula
C15H16N2OS
SMILES
COC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2OS/c1-18-14-9-7-12(8-10-14)11-16-15(19)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,19)
InChIKey
KYYMYUIAHXUHIT-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

5
Patents

272.09833 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.105606 160.9
[M+Na]+ 295.087548 166.7
[M-H]- 271.091054 167.4
[M+NH4]+ 290.132153 176.9
[M+K]+ 311.061488 161.7
[M+H-H2O]+ 255.095590 152.9
[M+HCOO]- 317.096531 181.2
[M+CH3COO]- 331.112181 200.4
[M+Na-2H]- 293.072996 164.7
[M]+ 272.09778142 161.4
[M]- 272.09887858 161.4
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