CID 3026506

Zh-90

Structural Information

Molecular Formula
C18H31N2O
SMILES
CC[N+](CC)(CC(=O)NC1=C(C=C(C=C1C)C)C)C(C)C
InChI
InChI=1S/C18H30N2O/c1-8-20(9-2,13(3)4)12-17(21)19-18-15(6)10-14(5)11-16(18)7/h10-11,13H,8-9,12H2,1-7H3/p+1
InChIKey
HHDUMHRAHJQLAX-UHFFFAOYSA-O
Compound name
diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.24365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.25093 171.3
[M+Na]+ 314.23287 176.5
[M-H]- 290.23637 176.4
[M+NH4]+ 309.27747 187.8
[M+K]+ 330.20681 169.0
[M+H-H2O]+ 274.24091 167.5
[M+HCOO]- 336.24185 192.8
[M+CH3COO]- 350.25750 209.8
[M+Na-2H]- 312.21832 174.6
[M]+ 291.24310 173.2
[M]- 291.24420 173.2
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.