CID 26898

Brn 2132654

Structural Information

Molecular Formula
C18H30N2O
SMILES
CC(C)C1=CC=C(C=C1)C(CCN(C)C)(C(C)C)C(=O)N
InChI
InChI=1S/C18H30N2O/c1-13(2)15-7-9-16(10-8-15)18(14(3)4,17(19)21)11-12-20(5)6/h7-10,13-14H,11-12H2,1-6H3,(H2,19,21)
InChIKey
QMVKAFOIGBLDPK-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propan-2-ylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 175.0
[M+Na]+ 313.22502 177.9
[M-H]- 289.22852 178.7
[M+NH4]+ 308.26962 190.4
[M+K]+ 329.19896 176.9
[M+H-H2O]+ 273.23306 168.0
[M+HCOO]- 335.23400 194.4
[M+CH3COO]- 349.24965 216.4
[M+Na-2H]- 311.21047 173.6
[M]+ 290.23525 175.7
[M]- 290.23635 175.7
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.