CID 4351873

S-(4-hydroxyphenyl) n-(2,5-dimethoxyphenyl)thiocarbamate

Structural Information

Molecular Formula
C15H15NO4S
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)SC2=CC=C(C=C2)O
InChI
InChI=1S/C15H15NO4S/c1-19-11-5-8-14(20-2)13(9-11)16-15(18)21-12-6-3-10(17)4-7-12/h3-9,17H,1-2H3,(H,16,18)
InChIKey
VZDYYUOWEDENIP-UHFFFAOYSA-N
Compound name
S-(4-hydroxyphenyl) N-(2,5-dimethoxyphenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.07217 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07945 167.5
[M+Na]+ 328.06139 174.7
[M-H]- 304.06489 173.3
[M+NH4]+ 323.10599 182.0
[M+K]+ 344.03533 170.9
[M+H-H2O]+ 288.06943 159.8
[M+HCOO]- 350.07037 185.8
[M+CH3COO]- 364.08602 201.7
[M+Na-2H]- 326.04684 169.3
[M]+ 305.07162 171.9
[M]- 305.07272 171.9
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