CID 102235523

N-benzyltetracosanamide

Structural Information

Molecular Formula
C31H55NO
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C31H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(33)32-29-30-26-23-22-24-27-30/h22-24,26-27H,2-21,25,28-29H2,1H3,(H,32,33)
InChIKey
CDEYCNHJOZECQY-UHFFFAOYSA-N
Compound name
N-benzyltetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.42838 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.43566 229.2
[M+Na]+ 480.41760 226.2
[M-H]- 456.42110 228.2
[M+NH4]+ 475.46220 237.3
[M+K]+ 496.39154 219.1
[M+H-H2O]+ 440.42564 218.7
[M+HCOO]- 502.42658 246.6
[M+CH3COO]- 516.44223 243.1
[M+Na-2H]- 478.40305 224.6
[M]+ 457.42783 236.3
[M]- 457.42893 236.3
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.