CID 55522

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

Structural Information

Molecular Formula
C18H27NO4S2
SMILES
CCCCCCOSSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C18H27NO4S2/c1-5-6-7-8-12-21-25-24-19(4)17(20)22-15-11-9-10-14-13-18(2,3)23-16(14)15/h9-11H,5-8,12-13H2,1-4H3
InChIKey
MRAMMPPESLZGCU-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(hexoxydisulfanyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.13815 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14543 189.2
[M+Na]+ 408.12737 194.5
[M-H]- 384.13087 194.2
[M+NH4]+ 403.17197 205.6
[M+K]+ 424.10131 192.9
[M+H-H2O]+ 368.13541 183.6
[M+HCOO]- 430.13635 199.8
[M+CH3COO]- 444.15200 220.5
[M+Na-2H]- 406.11282 189.3
[M]+ 385.13760 200.1
[M]- 385.13870 200.1
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

No patent data available for this compound.