CID 9574275

12ohricin hyd p

Structural Information

Molecular Formula
C25H40N2O2
SMILES
CCCCCCC(C/C=C\CCCCCCCC(=O)N/N=C/C1=CC=CC=C1)O
InChI
InChI=1S/C25H40N2O2/c1-2-3-4-14-19-24(28)20-15-9-7-5-6-8-10-16-21-25(29)27-26-22-23-17-12-11-13-18-23/h9,11-13,15,17-18,22,24,28H,2-8,10,14,16,19-21H2,1H3,(H,27,29)/b15-9-,26-22+
InChIKey
CZQSUDKSWBHZMR-ASQFTDHLSA-N
Compound name
(Z)-N-[(E)-benzylideneamino]-12-hydroxyoctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.309 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.31628 207.9
[M+Na]+ 423.29822 207.0
[M-H]- 399.30172 208.4
[M+NH4]+ 418.34282 217.8
[M+K]+ 439.27216 201.4
[M+H-H2O]+ 383.30626 198.2
[M+HCOO]- 445.30720 228.1
[M+CH3COO]- 459.32285 230.4
[M+Na-2H]- 421.28367 205.7
[M]+ 400.30845 211.2
[M]- 400.30955 211.2
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.