CID 55520

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

Structural Information

Molecular Formula
C24H39NO4S
SMILES
CCCCCCCCCCCCOSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C24H39NO4S/c1-5-6-7-8-9-10-11-12-13-14-18-27-30-25(4)23(26)28-21-17-15-16-20-19-24(2,3)29-22(20)21/h15-17H,5-14,18-19H2,1-4H3
InChIKey
QNVUOANWQREUEJ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-dodecoxysulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

437.25998 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.26726 210.2
[M+Na]+ 460.24920 217.2
[M+NH4]+ 455.29380 217.3
[M+K]+ 476.22314 208.4
[M-H]- 436.25270 212.4
[M+Na-2H]- 458.23465 211.8
[M]+ 437.25943 212.2
[M]- 437.26053 212.2
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