CID 3039472

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

Structural Information

Molecular Formula
C24H39NO3S
SMILES
CCCCCCCCCCCCSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C24H39NO3S/c1-5-6-7-8-9-10-11-12-13-14-18-29-25(4)23(26)27-21-17-15-16-20-19-24(2,3)28-22(20)21/h15-17H,5-14,18-19H2,1-4H3
InChIKey
XGKJBVYASRHVAC-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-dodecylsulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.26508 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.27236 207.4
[M+Na]+ 444.25430 214.9
[M+NH4]+ 439.29890 215.1
[M+K]+ 460.22824 205.5
[M-H]- 420.25780 210.1
[M+Na-2H]- 442.23975 209.3
[M]+ 421.26453 209.7
[M]- 421.26563 209.7
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.