CID 3060762

78265-90-4

Structural Information

Molecular Formula
C15H23ClN2O
SMILES
CCCCC(C(=O)NC1=C(C=CC=C1Cl)C)NCC
InChI
InChI=1S/C15H23ClN2O/c1-4-6-10-13(17-5-2)15(19)18-14-11(3)8-7-9-12(14)16/h7-9,13,17H,4-6,10H2,1-3H3,(H,18,19)
InChIKey
RIJZZXCVNSTOOF-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-(ethylamino)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1499 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15718 169.3
[M+Na]+ 305.13912 174.9
[M-H]- 281.14262 172.3
[M+NH4]+ 300.18372 185.8
[M+K]+ 321.11306 170.3
[M+H-H2O]+ 265.14716 163.1
[M+HCOO]- 327.14810 187.8
[M+CH3COO]- 341.16375 207.5
[M+Na-2H]- 303.12457 170.3
[M]+ 282.14935 172.1
[M]- 282.15045 172.1
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