CID 3734634

300733-16-8

Structural Information

Molecular Formula
C23H35N3O5
SMILES
CCCCCCCCCCCCC(=O)NNC(=O)CC(=O)NC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C23H35N3O5/c1-2-3-4-5-6-7-8-9-10-11-16-20(27)25-26-22(29)17-21(28)24-19-15-13-12-14-18(19)23(30)31/h12-15H,2-11,16-17H2,1H3,(H,24,28)(H,25,27)(H,26,29)(H,30,31)
InChIKey
YYNBOFCFGYTDGX-UHFFFAOYSA-N
Compound name
2-[[3-oxo-3-(2-tridecanoylhydrazinyl)propanoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

433.25766 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.26494 209.3
[M+Na]+ 456.24688 212.6
[M+NH4]+ 451.29148 210.5
[M+K]+ 472.22082 208.6
[M-H]- 432.25038 207.7
[M+Na-2H]- 454.23233 208.4
[M]+ 433.25711 208.3
[M]- 433.25821 208.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe