CID 6452826

53421-31-1

Structural Information

Molecular Formula
C22H39N2O
SMILES
CCCCCCCCCCCCCCCC(=O)NC[N+]1=CC=CC=C1
InChI
InChI=1S/C22H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-22(25)23-21-24-19-16-14-17-20-24/h14,16-17,19-20H,2-13,15,18,21H2,1H3/p+1
InChIKey
PBZRZLIEDNWWLE-UHFFFAOYSA-O
Compound name
N-(pyridin-1-ium-1-ylmethyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.30624 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.31352 195.6
[M+Na]+ 370.29546 196.4
[M-H]- 346.29896 195.4
[M+NH4]+ 365.34006 206.7
[M+K]+ 386.26940 186.0
[M+H-H2O]+ 330.30350 188.6
[M+HCOO]- 392.30444 214.6
[M+CH3COO]- 406.32009 212.4
[M+Na-2H]- 368.28091 198.1
[M]+ 347.30569 198.6
[M]- 347.30679 198.6
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

patents stripe