CID 3060760

78265-89-1

Structural Information

Molecular Formula
C17H27ClN2O
SMILES
CCCCC(C(=O)NC1=C(C=CC=C1Cl)C)NCCCC
InChI
InChI=1S/C17H27ClN2O/c1-4-6-11-15(19-12-7-5-2)17(21)20-16-13(3)9-8-10-14(16)18/h8-10,15,19H,4-7,11-12H2,1-3H3,(H,20,21)
InChIKey
OOOLFVSBDHVPPL-UHFFFAOYSA-N
Compound name
2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18118 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18846 178.4
[M+Na]+ 333.17040 183.2
[M-H]- 309.17390 181.1
[M+NH4]+ 328.21500 193.8
[M+K]+ 349.14434 178.1
[M+H-H2O]+ 293.17844 171.9
[M+HCOO]- 355.17938 196.3
[M+CH3COO]- 369.19503 213.5
[M+Na-2H]- 331.15585 178.4
[M]+ 310.18063 182.0
[M]- 310.18173 182.0
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