CID 55524

Carbamic acid, ((1-ethylpropoxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Structural Information

Molecular Formula
C17H25NO4S
SMILES
CCC(CC)OSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C17H25NO4S/c1-6-13(7-2)22-23-18(5)16(19)20-14-10-8-9-12-11-17(3,4)21-15(12)14/h8-10,13H,6-7,11H2,1-5H3
InChIKey
WQBWMENXEKKXIA-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-pentan-3-yloxysulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.15042 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15770 179.9
[M+Na]+ 362.13964 188.0
[M+NH4]+ 357.18424 188.1
[M+K]+ 378.11358 181.6
[M-H]- 338.14314 182.2
[M+Na-2H]- 360.12509 182.9
[M]+ 339.14987 182.1
[M]- 339.15097 182.1
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