CID 53630

Carbamic acid, ((hexyloxy)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester

Structural Information

Molecular Formula
C18H27NO5S
SMILES
CCCCCCOS(=O)N(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C18H27NO5S/c1-5-6-7-8-12-22-25(21)19(4)17(20)23-15-11-9-10-14-13-18(2,3)24-16(14)15/h9-11H,5-8,12-13H2,1-4H3
InChIKey
UJDQAEDHCRZCCG-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-hexoxysulfinyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16098 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16826 187.6
[M+Na]+ 392.15020 192.9
[M-H]- 368.15370 193.3
[M+NH4]+ 387.19480 204.3
[M+K]+ 408.12414 193.0
[M+H-H2O]+ 352.15824 181.8
[M+HCOO]- 414.15918 203.0
[M+CH3COO]- 428.17483 218.9
[M+Na-2H]- 390.13565 187.6
[M]+ 369.16043 197.8
[M]- 369.16153 197.8
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.