CID 87082438

Schembl236537

Structural Information

Molecular Formula
C21H43N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCN[O-]
InChI
InChI=1S/C21H43N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23-25/h23H,2-20H2,1H3,(H,22,24)/q-1
InChIKey
NVYISFQXISBAEB-UHFFFAOYSA-N
Compound name
N-[3-(oxidoamino)propyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

813
Patents

355.33246 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.339736 199.0
[M+Na]+ 378.321678 197.8
[M-H]- 354.325184 194.6
[M+NH4]+ 373.366283 217.0
[M+K]+ 394.295618 194.5
[M+H-H2O]+ 338.329720 192.8
[M+HCOO]- 400.330661 227.8
[M+CH3COO]- 414.346311 222.1
[M+Na-2H]- 376.307126 196.4
[M]+ 355.33191142 203.3
[M]- 355.33300858 203.3
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.