CID 3038351

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

Structural Information

Molecular Formula
C25H37N3O2S
SMILES
CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)CN(CC)CC
InChI
InChI=1S/C25H37N3O2S/c1-5-9-10-17-30-23-14-11-21(12-15-23)26-25(31)27-22-13-16-24(29-8-4)20(18-22)19-28(6-2)7-3/h11-16,18H,5-10,17,19H2,1-4H3,(H2,26,27,31)
InChIKey
KRKNEPIIBPPOIA-UHFFFAOYSA-N
Compound name
1-[3-(diethylaminomethyl)-4-ethoxyphenyl]-3-(4-pentoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.26065 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.26793 212.5
[M+Na]+ 466.24987 221.6
[M+NH4]+ 461.29447 218.6
[M+K]+ 482.22381 211.5
[M-H]- 442.25337 217.9
[M+Na-2H]- 464.23532 218.2
[M]+ 443.26010 215.6
[M]- 443.26120 215.6
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.