CID 21149888

97702-96-0

Structural Information

Molecular Formula
C18H31N3O2
SMILES
CCN(CC)CCN(C)CC(=O)N(C)CCOC1=CC=CC=C1
InChI
InChI=1S/C18H31N3O2/c1-5-21(6-2)13-12-19(3)16-18(22)20(4)14-15-23-17-10-8-7-9-11-17/h7-11H,5-6,12-16H2,1-4H3
InChIKey
OKEXFWNMARPHCZ-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl-methylamino]-N-methyl-N-(2-phenoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.24164 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.248916 184.2
[M+Na]+ 344.230858 185.5
[M-H]- 320.234364 190.3
[M+NH4]+ 339.275463 199.1
[M+K]+ 360.204798 186.6
[M+H-H2O]+ 304.238900 174.6
[M+HCOO]- 366.239841 209.9
[M+CH3COO]- 380.255491 226.9
[M+Na-2H]- 342.216306 184.9
[M]+ 321.24109142 190.3
[M]- 321.24218858 190.3
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.