CID 210044

Brn 3110305

Structural Information

Molecular Formula
C20H25NO5S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C20H25NO5S/c1-14(2)27(23,24)17-8-6-16(7-9-17)20(22)21-12-11-15-5-10-18(25-3)19(13-15)26-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,22)
InChIKey
BOFRUGORYSRISC-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.14536 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.15264 191.6
[M+Na]+ 414.13458 197.1
[M-H]- 390.13808 198.0
[M+NH4]+ 409.17918 202.9
[M+K]+ 430.10852 193.8
[M+H-H2O]+ 374.14262 183.1
[M+HCOO]- 436.14356 207.6
[M+CH3COO]- 450.15921 221.6
[M+Na-2H]- 412.12003 191.5
[M]+ 391.14481 198.5
[M]- 391.14591 198.5
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

No patent data available for this compound.