CID 3039596

50836-26-5

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCN(CC)CCNC(=O)C1CCCCC12OC3=CC=CC=C3O2
InChI
InChI=1S/C19H28N2O3/c1-3-21(4-2)14-13-20-18(22)15-9-7-8-12-19(15)23-16-10-5-6-11-17(16)24-19/h5-6,10-11,15H,3-4,7-9,12-14H2,1-2H3,(H,20,22)
InChIKey
OAZGJDJYVZUKQK-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.21 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 181.6
[M+Na]+ 355.19922 184.2
[M-H]- 331.20272 189.0
[M+NH4]+ 350.24382 197.3
[M+K]+ 371.17316 184.1
[M+H-H2O]+ 315.20726 174.1
[M+HCOO]- 377.20820 199.3
[M+CH3COO]- 391.22385 216.0
[M+Na-2H]- 353.18467 184.9
[M]+ 332.20945 181.5
[M]- 332.21055 181.5
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