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
1
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]+ 311.211776 175.2
[M+Na]+ 333.193718 177.7
[M-H]- 309.197224 183.8
[M+NH4]+ 328.238323 190.9
[M+K]+ 349.167658 175.6
[M+H-H2O]+ 293.201760 165.9
[M+HCOO]- 355.202701 195.2
[M+CH3COO]- 369.218351 219.0
[M+Na-2H]- 331.179166 176.8
[M]+ 310.20395142 172.5
[M]- 310.20504858 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

patents stripe