CID 3060540

78218-43-6

Structural Information

Molecular Formula
C19H32N2O
SMILES
CCCCNC(C)C(=O)N(CCCC)C1=C(C=CC=C1C)C
InChI
InChI=1S/C19H32N2O/c1-6-8-13-20-17(5)19(22)21(14-9-7-2)18-15(3)11-10-12-16(18)4/h10-12,17,20H,6-9,13-14H2,1-5H3
InChIKey
FRTNLSMKXBYECR-UHFFFAOYSA-N
Compound name
N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.25146 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.25874 180.8
[M+Na]+ 327.24068 184.0
[M-H]- 303.24418 184.8
[M+NH4]+ 322.28528 196.2
[M+K]+ 343.21462 182.0
[M+H-H2O]+ 287.24872 172.8
[M+HCOO]- 349.24966 202.9
[M+CH3COO]- 363.26531 219.2
[M+Na-2H]- 325.22613 179.5
[M]+ 304.25091 184.2
[M]- 304.25201 184.2
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.