CID 55209

84213-92-3

Structural Information

Molecular Formula
C18H27N2O
SMILES
CC[N+](CC)(CC#C)CC(=O)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C18H26N2O/c1-7-10-20(8-2,9-3)13-17(21)19-18-15(5)11-14(4)12-16(18)6/h1,11-12H,8-10,13H2,2-6H3/p+1
InChIKey
QUCJYMNWIXLYAD-UHFFFAOYSA-O
Compound name
diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-prop-2-ynylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.21234 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21962 174.1
[M+Na]+ 310.20156 181.9
[M-H]- 286.20506 177.4
[M+NH4]+ 305.24616 188.6
[M+K]+ 326.17550 173.0
[M+H-H2O]+ 270.20960 164.1
[M+HCOO]- 332.21054 190.7
[M+CH3COO]- 346.22619 212.7
[M+Na-2H]- 308.18701 176.9
[M]+ 287.21179 170.0
[M]- 287.21289 170.0
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.