CID 26899

Brn 2137853

Structural Information

Molecular Formula
C19H32N2O
SMILES
CC(C)CC1=CC=C(C=C1)C(CCN(C)C)(C(C)C)C(=O)N
InChI
InChI=1S/C19H32N2O/c1-14(2)13-16-7-9-17(10-8-16)19(15(3)4,18(20)22)11-12-21(5)6/h7-10,14-15H,11-13H2,1-6H3,(H2,20,22)
InChIKey
QADZTUOBCCXBOB-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.25146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.25874 179.7
[M+Na]+ 327.24068 182.1
[M-H]- 303.24418 183.2
[M+NH4]+ 322.28528 194.5
[M+K]+ 343.21462 180.9
[M+H-H2O]+ 287.24872 172.4
[M+HCOO]- 349.24966 198.7
[M+CH3COO]- 363.26531 219.4
[M+Na-2H]- 325.22613 177.8
[M]+ 304.25091 180.7
[M]- 304.25201 180.7
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.