CID 60124

106280-82-4

Structural Information

Molecular Formula
C21H36N2O2
SMILES
CCCCCCCCOC1=CC=CC=C1CNC(=O)CN(CC)CC
InChI
InChI=1S/C21H36N2O2/c1-4-7-8-9-10-13-16-25-20-15-12-11-14-19(20)17-22-21(24)18-23(5-2)6-3/h11-12,14-15H,4-10,13,16-18H2,1-3H3,(H,22,24)
InChIKey
JIACQWIIYPSWBP-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[(2-octoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.27768 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.28496 192.7
[M+Na]+ 371.26690 194.2
[M-H]- 347.27040 195.7
[M+NH4]+ 366.31150 205.9
[M+K]+ 387.24084 191.7
[M+H-H2O]+ 331.27494 183.6
[M+HCOO]- 393.27588 215.4
[M+CH3COO]- 407.29153 225.1
[M+Na-2H]- 369.25235 192.3
[M]+ 348.27713 198.5
[M]- 348.27823 198.5
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.