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

1245
Patents

515.24384 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.251116 229.5
[M+Na]+ 538.233058 231.7
[M-H]- 514.236564 234.2
[M+NH4]+ 533.277663 236.0
[M+K]+ 554.206998 225.9
[M+H-H2O]+ 498.241100 219.8
[M+HCOO]- 560.242041 243.9
[M+CH3COO]- 574.257691 247.3
[M+Na-2H]- 536.218506 224.3
[M]+ 515.24329142 239.7
[M]- 515.24438858 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