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 173.1
[M+Na]+ 329.20736 177.9
[M-H]- 305.21086 177.6
[M+NH4]+ 324.25196 188.0
[M+K]+ 345.18130 170.3
[M+H-H2O]+ 289.21540 168.8
[M+HCOO]- 351.21634 195.6
[M+CH3COO]- 365.23199 212.1
[M+Na-2H]- 327.19281 176.4
[M]+ 306.21759 173.4
[M]- 306.21869 173.4
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.