CID 14162529

N-(2-methylpropyl)hexacosanamide

Structural Information

Molecular Formula
C30H61NO
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(C)C
InChI
InChI=1S/C30H61NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32)31-28-29(2)3/h29H,4-28H2,1-3H3,(H,31,32)
InChIKey
YFTBALWTXJWGFU-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)hexacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

451.4753 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.48258 233.3
[M+Na]+ 474.46452 229.6
[M-H]- 450.46802 229.0
[M+NH4]+ 469.50912 239.7
[M+K]+ 490.43846 223.9
[M+H-H2O]+ 434.47256 224.1
[M+HCOO]- 496.47350 246.0
[M+CH3COO]- 510.48915 245.4
[M+Na-2H]- 472.44997 225.4
[M]+ 451.47475 242.2
[M]- 451.47585 242.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe