CID 45054874

N-(2-(2-(3-(benzyloxy)benzylidene)hydrazino)-2-oxoethyl)dodecanamide

Structural Information

Molecular Formula
C28H39N3O3
SMILES
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=CC=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C28H39N3O3/c1-2-3-4-5-6-7-8-9-13-19-27(32)29-22-28(33)31-30-21-25-17-14-18-26(20-25)34-23-24-15-11-10-12-16-24/h10-12,14-18,20-21H,2-9,13,19,22-23H2,1H3,(H,29,32)(H,31,33)/b30-21+
InChIKey
ARHLZGVIOKKJRU-MWAVMZGNSA-N
Compound name
N-[2-oxo-2-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.29913 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.30641 220.0
[M+Na]+ 488.28835 219.1
[M-H]- 464.29185 225.1
[M+NH4]+ 483.33295 227.1
[M+K]+ 504.26229 214.1
[M+H-H2O]+ 448.29639 208.1
[M+HCOO]- 510.29733 243.2
[M+CH3COO]- 524.31298 245.7
[M+Na-2H]- 486.27380 219.3
[M]+ 465.29858 224.4
[M]- 465.29968 224.4
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.