CID 2826672

Ccg-52

Structural Information

Molecular Formula
C19H25N3S
SMILES
CC1=CC(=C(C(=C1)C)NC(=S)NCCNCC2=CC=CC=C2)C
InChI
InChI=1S/C19H25N3S/c1-14-11-15(2)18(16(3)12-14)22-19(23)21-10-9-20-13-17-7-5-4-6-8-17/h4-8,11-12,20H,9-10,13H2,1-3H3,(H2,21,22,23)
InChIKey
CSYJNKKVMXLDHG-UHFFFAOYSA-N
Compound name
1-[2-(benzylamino)ethyl]-3-(2,4,6-trimethylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

327.1769 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.184176 178.5
[M+Na]+ 350.166118 183.4
[M-H]- 326.169624 184.7
[M+NH4]+ 345.210723 192.5
[M+K]+ 366.140058 177.0
[M+H-H2O]+ 310.174160 169.8
[M+HCOO]- 372.175101 198.0
[M+CH3COO]- 386.190751 217.7
[M+Na-2H]- 348.151566 179.4
[M]+ 327.17635142 179.0
[M]- 327.17744858 179.0
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

No patent data available for this compound.