CID 39697

Brn 1398713

Structural Information

Molecular Formula
C18H18ClNO3S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C18H18ClNO3S/c1-18(2)10-12-4-3-5-15(16(12)23-18)22-17(21)20-11-24-14-8-6-13(19)7-9-14/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKey
FAXWCORADQOCMU-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-chlorophenyl)sulfanylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.06958 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.07686 181.7
[M+Na]+ 386.05880 194.7
[M+NH4]+ 381.10340 191.9
[M+K]+ 402.03274 184.9
[M-H]- 362.06230 187.5
[M+Na-2H]- 384.04425 189.0
[M]+ 363.06903 186.2
[M]- 363.07013 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

No patent data available for this compound.