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]+ 314.23528 175.4
[M+Na]+ 336.21722 187.6
[M+NH4]+ 331.26182 184.2
[M+K]+ 352.19116 182.3
[M-H]- 312.22072 180.0
[M+Na-2H]- 334.20267 182.1
[M]+ 313.22745 178.9
[M]- 313.22855 178.9
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.