CID 39695

50539-71-4

Structural Information

Molecular Formula
C23H29NO3S
SMILES
CC1=C(C=CC(=C1)C(C)(C)C)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C
InChI
InChI=1S/C23H29NO3S/c1-15-12-17(22(2,3)4)10-11-19(15)28-14-24-21(25)26-18-9-7-8-16-13-23(5,6)27-20(16)18/h7-12H,13-14H2,1-6H3,(H,24,25)
InChIKey
ATLXYWVNKKEMCS-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-tert-butyl-2-methylphenyl)sulfanylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.18683 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19411 197.5
[M+Na]+ 422.17605 208.5
[M+NH4]+ 417.22065 206.3
[M+K]+ 438.14999 200.0
[M-H]- 398.17955 202.5
[M+Na-2H]- 420.16150 203.3
[M]+ 399.18628 201.2
[M]- 399.18738 201.2
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

No patent data available for this compound.