CID 42736

2-(diethylamino)-2',6'-caproxylidide hydrochloride

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCCCC(C(=O)NC1=C(C=CC=C1C)C)N(CC)CC
InChI
InChI=1S/C18H30N2O/c1-6-9-13-16(20(7-2)8-3)18(21)19-17-14(4)11-10-12-15(17)5/h10-12,16H,6-9,13H2,1-5H3,(H,19,21)
InChIKey
LMTZAFQMEUYQJY-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,6-dimethylphenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 176.2
[M+Na]+ 313.22502 179.9
[M-H]- 289.22852 180.4
[M+NH4]+ 308.26962 192.2
[M+K]+ 329.19896 178.1
[M+H-H2O]+ 273.23306 168.4
[M+HCOO]- 335.23400 198.7
[M+CH3COO]- 349.24965 216.3
[M+Na-2H]- 311.21047 175.4
[M]+ 290.23525 179.3
[M]- 290.23635 179.3
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.