CID 3067993

82560-72-3

Structural Information

Molecular Formula
C18H25N3O3S
SMILES
CC(C)N(CCC#N)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C18H25N3O3S/c1-13(2)21(11-7-10-19)25-20(5)17(22)23-15-9-6-8-14-12-18(3,4)24-16(14)15/h6,8-9,13H,7,11-12H2,1-5H3
InChIKey
UQWKIKPVXHDOEI-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(propan-2-yl)amino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.16165 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16893 180.4
[M+Na]+ 386.15087 187.4
[M+NH4]+ 381.19547 184.8
[M+K]+ 402.12481 178.6
[M-H]- 362.15437 175.8
[M+Na-2H]- 384.13632 181.4
[M]+ 363.16110 179.6
[M]- 363.16220 179.6
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