CID 113162

Dodecanedioic acid, bis[2-(2-hydroxybenzoyl)hydrazide]

Structural Information

Molecular Formula
C26H34N4O6
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=O)CCCCCCCCCCC(=O)NNC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C26H34N4O6/c31-21-15-11-9-13-19(21)25(35)29-27-23(33)17-7-5-3-1-2-4-6-8-18-24(34)28-30-26(36)20-14-10-12-16-22(20)32/h9-16,31-32H,1-8,17-18H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)
InChIKey
KKZSDWROKQKKPM-UHFFFAOYSA-N
Compound name
1-N',12-N'-bis(2-hydroxybenzoyl)dodecanedihydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

535
Patents

498.24783 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.25511 220.1
[M+Na]+ 521.23705 218.0
[M-H]- 497.24055 222.2
[M+NH4]+ 516.28165 223.4
[M+K]+ 537.21099 215.1
[M+H-H2O]+ 481.24509 209.2
[M+HCOO]- 543.24603 239.3
[M+CH3COO]- 557.26168 246.2
[M+Na-2H]- 519.22250 217.6
[M]+ 498.24728 220.1
[M]- 498.24838 220.1
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