CID 113162

63245-38-5

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

524
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 222.9
[M+Na]+ 521.23705 226.5
[M+NH4]+ 516.28165 223.4
[M+K]+ 537.21099 223.0
[M-H]- 497.24055 223.5
[M+Na-2H]- 519.22250 224.0
[M]+ 498.24728 222.5
[M]- 498.24838 222.5
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