CID 45054319

N-(2-(2-(1-naphthylmethylene)hydrazino)-2-oxoethyl)tetradecanamide

Structural Information

Molecular Formula
C27H39N3O2
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C27H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-20-26(31)28-22-27(32)30-29-21-24-18-15-17-23-16-13-14-19-25(23)24/h13-19,21H,2-12,20,22H2,1H3,(H,28,31)(H,30,32)/b29-21+
InChIKey
QWBLAYICHHXHAL-XHLNEMQHSA-N
Compound name
N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.30423 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.31151 213.6
[M+Na]+ 460.29345 213.4
[M-H]- 436.29695 216.4
[M+NH4]+ 455.33805 223.3
[M+K]+ 476.26739 207.9
[M+H-H2O]+ 420.30149 203.0
[M+HCOO]- 482.30243 235.3
[M+CH3COO]- 496.31808 242.6
[M+Na-2H]- 458.27890 214.1
[M]+ 437.30368 217.7
[M]- 437.30478 217.7
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.