CID 39702

Brn 1401680

Structural Information

Molecular Formula
C22H21NO3S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SC3=CC4=CC=CC=C4C=C3)C
InChI
InChI=1S/C22H21NO3S/c1-22(2)14-17-9-6-10-19(20(17)26-22)25-21(24)23(3)27-18-12-11-15-7-4-5-8-16(15)13-18/h4-13H,14H2,1-3H3
InChIKey
VQAPWBZMRSLNCC-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-naphthalen-2-ylsulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

379.1242 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13148 187.3
[M+Na]+ 402.11342 200.7
[M+NH4]+ 397.15802 198.0
[M+K]+ 418.08736 191.0
[M-H]- 378.11692 194.4
[M+Na-2H]- 400.09887 195.3
[M]+ 379.12365 192.1
[M]- 379.12475 192.1
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

patents stripe