CID 108912

Behenamidopropyl dimethylamine

Structural Information

Molecular Formula
C27H56N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C
InChI
InChI=1S/C27H56N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h4-26H2,1-3H3,(H,28,30)
InChIKey
MNAZHGAWPCLLGX-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]docosanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

5583
Patents

424.43927 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.44655 223.6
[M+Na]+ 447.42849 220.6
[M-H]- 423.43199 221.2
[M+NH4]+ 442.47309 241.2
[M+K]+ 463.40243 216.6
[M+H-H2O]+ 407.43653 214.1
[M+HCOO]- 469.43747 246.8
[M+CH3COO]- 483.45312 244.3
[M+Na-2H]- 445.41394 218.0
[M]+ 424.43872 232.5
[M]- 424.43982 232.5
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