CID 71314334

1330172-81-0

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCCCNCCCCCC(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C18H30N2O/c1-4-5-13-19-14-8-6-7-12-17(21)20-18-15(2)10-9-11-16(18)3/h9-11,19H,4-8,12-14H2,1-3H3,(H,20,21)
InChIKey
KXUVXFMERBRLDR-UHFFFAOYSA-N
Compound name
6-(butylamino)-N-(2,6-dimethylphenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

290.2358 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 175.4
[M+Na]+ 313.22502 179.1
[M-H]- 289.22852 177.9
[M+NH4]+ 308.26962 190.7
[M+K]+ 329.19896 175.3
[M+H-H2O]+ 273.23306 167.6
[M+HCOO]- 335.23400 198.3
[M+CH3COO]- 349.24965 212.0
[M+Na-2H]- 311.21047 176.6
[M]+ 290.23525 177.8
[M]- 290.23635 177.8
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

patents stripe