CID 55208

84213-91-2

Structural Information

Molecular Formula
C18H29N2O
SMILES
CC[N+](CC)(CC=C)CC(=O)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C18H28N2O/c1-7-10-20(8-2,9-3)13-17(21)19-18-15(5)11-14(4)12-16(18)6/h7,11-12H,1,8-10,13H2,2-6H3/p+1
InChIKey
OYAIYZSRUKCRIR-UHFFFAOYSA-O
Compound name
diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.228 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.23528 170.4
[M+Na]+ 312.21722 176.2
[M-H]- 288.22072 175.4
[M+NH4]+ 307.26182 187.0
[M+K]+ 328.19116 167.5
[M+H-H2O]+ 272.22526 166.5
[M+HCOO]- 334.22620 193.1
[M+CH3COO]- 348.24185 208.0
[M+Na-2H]- 310.20267 174.9
[M]+ 289.22745 172.2
[M]- 289.22855 172.2
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.