CID 39679

Carbamic acid, (1,3-benzodioxol-5-ylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Structural Information

Molecular Formula
C19H19NO5S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC4=C(C=C3)OCO4)C
InChI
InChI=1S/C19H19NO5S/c1-19(2)9-12-4-3-5-15(17(12)25-19)24-18(21)20-10-26-13-6-7-14-16(8-13)23-11-22-14/h3-8H,9-11H2,1-2H3,(H,20,21)
InChIKey
GOPWKQNOSDGKBF-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(1,3-benzodioxol-5-ylsulfanylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0984 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10568 183.7
[M+Na]+ 396.08762 194.5
[M+NH4]+ 391.13222 192.9
[M+K]+ 412.06156 189.2
[M-H]- 372.09112 191.1
[M+Na-2H]- 394.07307 187.4
[M]+ 373.09785 188.0
[M]- 373.09895 188.0
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.