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 211.5
[M+Na]+ 460.24920 214.4
[M-H]- 436.25270 215.9
[M+NH4]+ 455.29380 225.6
[M+K]+ 476.22314 212.6
[M+H-H2O]+ 420.25724 204.4
[M+HCOO]- 482.25818 225.6
[M+CH3COO]- 496.27383 234.0
[M+Na-2H]- 458.23465 209.3
[M]+ 437.25943 223.5
[M]- 437.26053 223.5
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