CID 54524276

67579-80-0

Structural Information

Molecular Formula
C20H26N2O
SMILES
CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H26N2O/c1-21(2)18-10-6-7-11-19(18)22(3)20(23)17-13-12-15-8-4-5-9-16(15)14-17/h4-5,8-9,12-14,18-19H,6-7,10-11H2,1-3H3/t18-,19-/m1/s1
InChIKey
YRZZSLYUFWBIIK-RTBURBONSA-N
Compound name
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

310.2045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 175.2
[M+Na]+ 333.19372 177.7
[M-H]- 309.19722 183.8
[M+NH4]+ 328.23832 190.9
[M+K]+ 349.16766 175.6
[M+H-H2O]+ 293.20176 165.9
[M+HCOO]- 355.20270 195.2
[M+CH3COO]- 369.21835 219.0
[M+Na-2H]- 331.17917 176.8
[M]+ 310.20395 172.5
[M]- 310.20505 172.5
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.