CID 3038316

Urea, 1-(p-butoxyphenyl)-3-(3-(diethylamino)methyl-4-ethoxyphenyl)-2-thio-, hydrochloride

Structural Information

Molecular Formula
C24H35N3O2S
SMILES
CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)CN(CC)CC
InChI
InChI=1S/C24H35N3O2S/c1-5-9-16-29-22-13-10-20(11-14-22)25-24(30)26-21-12-15-23(28-8-4)19(17-21)18-27(6-2)7-3/h10-15,17H,5-9,16,18H2,1-4H3,(H2,25,26,30)
InChIKey
ASXIBJYTSOFUAG-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-ethoxyphenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.245 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.25228 208.3
[M+Na]+ 452.23422 217.5
[M+NH4]+ 447.27882 214.5
[M+K]+ 468.20816 207.6
[M-H]- 428.23772 213.7
[M+Na-2H]- 450.21967 214.2
[M]+ 429.24445 211.4
[M]- 429.24555 211.4
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

No patent data available for this compound.