CID 16228934

(3,4-diethoxyphenyl)thiourea

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CCOC1=C(C=C(C=C1)NC(=S)N)OCC
InChI
InChI=1S/C11H16N2O2S/c1-3-14-9-6-5-8(13-11(12)16)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H3,12,13,16)
InChIKey
RVYNTSSFWGHQQW-UHFFFAOYSA-N
Compound name
(3,4-diethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09325 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 153.8
[M+Na]+ 263.08247 163.2
[M+NH4]+ 258.12707 161.2
[M+K]+ 279.05641 155.9
[M-H]- 239.08597 156.1
[M+Na-2H]- 261.06792 158.3
[M]+ 240.09270 156.0
[M]- 240.09380 156.0
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.