CID 139598237

Qnu017p53c

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H24N2O3/c1-18(2)13-6-4-5-7-14(13)19(3)17(20)12-8-9-15-16(10-12)22-11-21-15/h8-10,13-14H,4-7,11H2,1-3H3/t13-,14-/m1/s1
InChIKey
UUAVKYBZWVMWSM-ZIAGYGMSSA-N
Compound name
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 174.1
[M+Na]+ 327.167898 177.0
[M-H]- 303.171404 184.4
[M+NH4]+ 322.212503 189.3
[M+K]+ 343.141838 178.7
[M+H-H2O]+ 287.175940 166.4
[M+HCOO]- 349.176881 193.1
[M+CH3COO]- 363.192531 214.9
[M+Na-2H]- 325.153346 175.3
[M]+ 304.17813142 173.9
[M]- 304.17922858 173.9
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.