CID 54349

Zh-111

Structural Information

Molecular Formula
C17H28N3O2
SMILES
CC[N+](CC)(CC(=O)N)CC(=O)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C17H27N3O2/c1-6-20(7-2,10-15(18)21)11-16(22)19-17-13(4)8-12(3)9-14(17)5/h8-9H,6-7,10-11H2,1-5H3,(H2-,18,19,21,22)/p+1
InChIKey
NVNSDGAWGZLXBY-UHFFFAOYSA-O
Compound name
(2-amino-2-oxoethyl)-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.21814 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22542 174.1
[M+Na]+ 329.20736 184.3
[M+NH4]+ 324.25196 180.8
[M+K]+ 345.18130 180.1
[M-H]- 305.21086 177.7
[M+Na-2H]- 327.19281 178.5
[M]+ 306.21759 176.6
[M]- 306.21869 176.6
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.