CID 10279445

33942-96-0

Structural Information

Molecular Formula
C29H38ClNO5
SMILES
CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C29H38ClNO5/c1-3-4-5-6-7-8-9-10-11-12-19-36-29(34)23-15-18-25(30)26(20-23)31-28(33)21-27(32)22-13-16-24(35-2)17-14-22/h13-18,20H,3-12,19,21H2,1-2H3,(H,31,33)
InChIKey
AOMUALOCHQKUCD-UHFFFAOYSA-N
Compound name
dodecyl 4-chloro-3-[[3-(4-methoxyphenyl)-3-oxopropanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1043
Patents

515.24384 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.25112 229.5
[M+Na]+ 538.23306 231.7
[M-H]- 514.23656 234.2
[M+NH4]+ 533.27766 236.0
[M+K]+ 554.20700 225.9
[M+H-H2O]+ 498.24110 219.8
[M+HCOO]- 560.24204 243.9
[M+CH3COO]- 574.25769 247.3
[M+Na-2H]- 536.21851 224.3
[M]+ 515.24329 239.7
[M]- 515.24439 239.7
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