CID 3023683

94134-63-1

Structural Information

Molecular Formula
C33H48ClNO5
SMILES
CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=C(C=C2Cl)OC)OC
InChI
InChI=1S/C33H48ClNO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-27-20-18-26(19-21-27)30(36)25-33(37)35-29-24-32(39-3)31(38-2)23-28(29)34/h18-21,23-24H,4-17,22,25H2,1-3H3,(H,35,37)
InChIKey
MNDAUHXRSYFGQF-UHFFFAOYSA-N
Compound name
N-(2-chloro-4,5-dimethoxyphenyl)-3-(4-hexadecoxyphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

573.3221 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.32938 247.9
[M+Na]+ 596.31132 249.0
[M-H]- 572.31482 251.8
[M+NH4]+ 591.35592 252.2
[M+K]+ 612.28526 242.5
[M+H-H2O]+ 556.31936 237.2
[M+HCOO]- 618.32030 261.5
[M+CH3COO]- 632.33595 260.3
[M+Na-2H]- 594.29677 241.0
[M]+ 573.32155 261.0
[M]- 573.32265 261.0
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