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]+ 322.24892 184.2
[M+Na]+ 344.23086 185.5
[M-H]- 320.23436 190.3
[M+NH4]+ 339.27546 199.1
[M+K]+ 360.20480 186.6
[M+H-H2O]+ 304.23890 174.6
[M+HCOO]- 366.23984 209.9
[M+CH3COO]- 380.25549 226.9
[M+Na-2H]- 342.21631 184.9
[M]+ 321.24109 190.3
[M]- 321.24219 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.