CID 51060590

2-methoxy-4-(2-((tetradecanoylamino)acetyl)carbohydrazonoyl)phenyl 4-cl-benzoate

Structural Information

Molecular Formula
C31H42ClN3O5
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C31H42ClN3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-29(36)33-23-30(37)35-34-22-24-15-20-27(28(21-24)39-2)40-31(38)25-16-18-26(32)19-17-25/h15-22H,3-14,23H2,1-2H3,(H,33,36)(H,35,37)/b34-22+
InChIKey
KYLSBERKNRYZRY-PPOKSSTKSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.2813 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.28858 245.2
[M+Na]+ 594.27052 245.3
[M-H]- 570.27402 250.6
[M+NH4]+ 589.31512 249.3
[M+K]+ 610.24446 239.8
[M+H-H2O]+ 554.27856 234.1
[M+HCOO]- 616.27950 262.5
[M+CH3COO]- 630.29515 263.8
[M+Na-2H]- 592.25597 240.4
[M]+ 571.28075 255.4
[M]- 571.28185 255.4
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.