CID 9574274

Undeccon2 phcho deriv

Structural Information

Molecular Formula
C19H30N2O
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC=CC=C1
InChI
InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-9-13-16-19(22)21-20-17-18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,21,22)/b20-17+
InChIKey
BQEQWEYTCPJGOT-LVZFUZTISA-N
Compound name
N-[(E)-benzylideneamino]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.2358 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 178.7
[M+Na]+ 325.22502 180.9
[M-H]- 301.22852 181.7
[M+NH4]+ 320.26962 193.6
[M+K]+ 341.19896 177.1
[M+H-H2O]+ 285.23306 170.0
[M+HCOO]- 347.23400 203.1
[M+CH3COO]- 361.24965 213.7
[M+Na-2H]- 323.21047 181.3
[M]+ 302.23525 181.8
[M]- 302.23635 181.8
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.