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 153.0
[M+Na]+ 263.08247 159.5
[M-H]- 239.08597 156.2
[M+NH4]+ 258.12707 170.5
[M+K]+ 279.05641 156.3
[M+H-H2O]+ 223.09051 146.1
[M+HCOO]- 285.09145 172.4
[M+CH3COO]- 299.10710 196.0
[M+Na-2H]- 261.06792 154.2
[M]+ 240.09270 155.4
[M]- 240.09380 155.4
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.