CID 39701

Brn 1438620

Structural Information

Molecular Formula
C19H18N2O3S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC=C(C=C3)C#N)C
InChI
InChI=1S/C19H18N2O3S/c1-19(2)10-14-4-3-5-16(17(14)24-19)23-18(22)21-12-25-15-8-6-13(11-20)7-9-15/h3-9H,10,12H2,1-2H3,(H,21,22)
InChIKey
AZHXRISIMDLSQN-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-cyanophenyl)sulfanylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.10382 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11110 177.7
[M+Na]+ 377.09304 188.8
[M+NH4]+ 372.13764 183.3
[M+K]+ 393.06698 177.4
[M-H]- 353.09654 175.3
[M+Na-2H]- 375.07849 181.8
[M]+ 354.10327 178.3
[M]- 354.10437 178.3
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.