CID 9688630

2-meo-4-(2-((tetradecanoylamino)acetyl)carbohydrazonoyl)phenyl 4-methylbenzoate

Structural Information

Molecular Formula
C32H45N3O5
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C)OC
InChI
InChI=1S/C32H45N3O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-30(36)33-24-31(37)35-34-23-26-18-21-28(29(22-26)39-3)40-32(38)27-19-16-25(2)17-20-27/h16-23H,4-15,24H2,1-3H3,(H,33,36)(H,35,37)/b34-23+
InChIKey
VFDXNSRBXPVRAM-PPFNPFNJSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.33594 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.34322 242.8
[M+Na]+ 574.32516 241.5
[M-H]- 550.32866 248.0
[M+NH4]+ 569.36976 246.6
[M+K]+ 590.29910 237.6
[M+H-H2O]+ 534.33320 230.4
[M+HCOO]- 596.33414 264.0
[M+CH3COO]- 610.34979 263.5
[M+Na-2H]- 572.31061 237.9
[M]+ 551.33539 250.8
[M]- 551.33649 250.8
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

No patent data available for this compound.