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 180.8
[M+Na]+ 362.13964 186.6
[M-H]- 338.14314 186.8
[M+NH4]+ 357.18424 199.0
[M+K]+ 378.11358 186.9
[M+H-H2O]+ 322.14768 175.3
[M+HCOO]- 384.14862 196.2
[M+CH3COO]- 398.16427 214.5
[M+Na-2H]- 360.12509 180.9
[M]+ 339.14987 189.9
[M]- 339.15097 189.9
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