CID 11258736

133261-17-3

Structural Information

Molecular Formula
C20H26N2O6S
SMILES
CCOC1=CC=CC=C1OCC(=O)N[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N
InChI
InChI=1S/C20H26N2O6S/c1-4-27-16-7-5-6-8-17(16)28-13-20(23)22-14(2)11-15-9-10-18(26-3)19(12-15)29(21,24)25/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,23)(H2,21,24,25)/t14-/m1/s1
InChIKey
IPHNYXYPQJHUIV-CQSZACIVSA-N
Compound name
2-(2-ethoxyphenoxy)-N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

422.15115 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.15843 198.3
[M+Na]+ 445.14037 202.3
[M-H]- 421.14387 203.8
[M+NH4]+ 440.18497 207.4
[M+K]+ 461.11431 199.5
[M+H-H2O]+ 405.14841 189.1
[M+HCOO]- 467.14935 214.7
[M+CH3COO]- 481.16500 228.6
[M+Na-2H]- 443.12582 198.3
[M]+ 422.15060 204.7
[M]- 422.15170 204.7
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