CID 202684

Butyramide, 4-dimethylamino-2-isopropyl-2-(1-naphthyl)-, methobromide

Structural Information

Molecular Formula
C20H29N2O
SMILES
CC(C)C(CC[N+](C)(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C20H28N2O/c1-15(2)20(19(21)23,13-14-22(3,4)5)18-12-8-10-16-9-6-7-11-17(16)18/h6-12,15H,13-14H2,1-5H3,(H-,21,23)/p+1
InChIKey
MBXXSZBPQQQJSX-UHFFFAOYSA-O
Compound name
(3-carbamoyl-4-methyl-3-naphthalen-1-ylpentyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.228 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.235276 175.9
[M+Na]+ 336.217218 179.8
[M-H]- 312.220724 180.6
[M+NH4]+ 331.261823 191.2
[M+K]+ 352.191158 171.3
[M+H-H2O]+ 296.225260 171.8
[M+HCOO]- 358.226201 194.2
[M+CH3COO]- 372.241851 211.2
[M+Na-2H]- 334.202666 182.8
[M]+ 313.22745142 175.0
[M]- 313.22854858 175.0
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.