CID 28662

17640-90-3

Structural Information

Molecular Formula
C21H36N2O3
SMILES
CCCCCCCCOC1=C(C=C(C=C1)NC(=O)CN(CC)CC)OC
InChI
InChI=1S/C21H36N2O3/c1-5-8-9-10-11-12-15-26-19-14-13-18(16-20(19)25-4)22-21(24)17-23(6-2)7-3/h13-14,16H,5-12,15,17H2,1-4H3,(H,22,24)
InChIKey
QZQDJEZXCUMIDR-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(3-methoxy-4-octoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.27258 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.27986 195.3
[M+Na]+ 387.26180 197.6
[M-H]- 363.26530 198.6
[M+NH4]+ 382.30640 208.0
[M+K]+ 403.23574 195.8
[M+H-H2O]+ 347.26984 186.2
[M+HCOO]- 409.27078 218.1
[M+CH3COO]- 423.28643 228.3
[M+Na-2H]- 385.24725 194.3
[M]+ 364.27203 202.9
[M]- 364.27313 202.9
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