CID 3002002

Su 1795

Structural Information

Molecular Formula
C19H24N2O2S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC(C)C
InChI
InChI=1S/C19H24N2O2S/c1-4-22-17-9-5-15(6-10-17)20-19(24)21-16-7-11-18(12-8-16)23-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,20,21,24)
InChIKey
ARSPSQDAZJLGOB-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

344.15585 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16313 182.6
[M+Na]+ 367.14507 186.8
[M-H]- 343.14857 188.6
[M+NH4]+ 362.18967 195.7
[M+K]+ 383.11901 182.2
[M+H-H2O]+ 327.15311 173.8
[M+HCOO]- 389.15405 200.6
[M+CH3COO]- 403.16970 216.4
[M+Na-2H]- 365.13052 182.7
[M]+ 344.15530 185.6
[M]- 344.15640 185.6
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

patents stripe