CID 51060850

N-(2-(2-(2-methyl-3-phenyl-2-propenylidene)hydrazino)-2-oxoethyl)dodecanamide

Structural Information

Molecular Formula
C24H37N3O2
SMILES
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C(=C\C1=CC=CC=C1)/C
InChI
InChI=1S/C24H37N3O2/c1-3-4-5-6-7-8-9-10-14-17-23(28)25-20-24(29)27-26-19-21(2)18-22-15-12-11-13-16-22/h11-13,15-16,18-19H,3-10,14,17,20H2,1-2H3,(H,25,28)(H,27,29)/b21-18-,26-19+
InChIKey
QGDSGBJIRIVUEJ-RABKSQAHSA-N
Compound name
N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.28857 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.29585 206.6
[M+Na]+ 422.27779 205.8
[M-H]- 398.28129 208.8
[M+NH4]+ 417.32239 216.8
[M+K]+ 438.25173 201.4
[M+H-H2O]+ 382.28583 196.6
[M+HCOO]- 444.28677 228.8
[M+CH3COO]- 458.30242 234.4
[M+Na-2H]- 420.26324 204.6
[M]+ 399.28802 209.2
[M]- 399.28912 209.2
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.