CID 39678

Brn 1400263

Structural Information

Molecular Formula
C19H21NO4S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SC3=CC=C(C=C3)OC)C
InChI
InChI=1S/C19H21NO4S/c1-19(2)12-13-6-5-7-16(17(13)24-19)23-18(21)20(3)25-15-10-8-14(22-4)9-11-15/h5-11H,12H2,1-4H3
InChIKey
ZTWQRJRDZNARHT-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-methoxyphenyl)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

359.11914 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12642 182.3
[M+Na]+ 382.10836 193.8
[M+NH4]+ 377.15296 191.6
[M+K]+ 398.08230 185.9
[M-H]- 358.11186 187.8
[M+Na-2H]- 380.09381 189.1
[M]+ 359.11859 186.2
[M]- 359.11969 186.2
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