CID 3925

Qx-314

Structural Information

Molecular Formula
C16H27N2O
SMILES
CC[N+](CC)(CC)CC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1
InChIKey
PYEBKOFMWAMBFV-UHFFFAOYSA-O
Compound name
[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

316
References

377
Patents

263.21234 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.21962 163.9
[M+Na]+ 286.20156 176.4
[M+NH4]+ 281.24616 172.6
[M+K]+ 302.17550 170.3
[M-H]- 262.20506 168.5
[M+Na-2H]- 284.18701 170.6
[M]+ 263.21179 167.4
[M]- 263.21289 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe