CID 9631539

4-(2-((dodecanoylamino)acetyl)carbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C31H43N3O6
SMILES
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)OCC
InChI
InChI=1S/C31H43N3O6/c1-4-6-7-8-9-10-11-12-13-14-29(35)32-23-30(36)34-33-22-24-15-20-27(28(21-24)39-5-2)40-31(37)25-16-18-26(38-3)19-17-25/h15-22H,4-14,23H2,1-3H3,(H,32,35)(H,34,36)/b33-22+
InChIKey
KNFCOATZMDNYJT-STKMKYKTSA-N
Compound name
[4-[(E)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.3152 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.32248 240.4
[M+Na]+ 576.30442 239.3
[M-H]- 552.30792 245.8
[M+NH4]+ 571.34902 244.0
[M+K]+ 592.27836 236.5
[M+H-H2O]+ 536.31246 228.0
[M+HCOO]- 598.31340 262.2
[M+CH3COO]- 612.32905 262.7
[M+Na-2H]- 574.28987 236.3
[M]+ 553.31465 249.4
[M]- 553.31575 249.4
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.