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]+ 305.18596 174.1
[M+Na]+ 327.16790 177.0
[M-H]- 303.17140 184.4
[M+NH4]+ 322.21250 189.3
[M+K]+ 343.14184 178.7
[M+H-H2O]+ 287.17594 166.4
[M+HCOO]- 349.17688 193.1
[M+CH3COO]- 363.19253 214.9
[M+Na-2H]- 325.15335 175.3
[M]+ 304.17813 173.9
[M]- 304.17923 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.