CID 6328465

Azaloxan

Structural Information

Molecular Formula
C18H25N3O3
SMILES
C1CN(CCC1N2CCNC2=O)CC[C@H]3COC4=CC=CC=C4O3
InChI
InChI=1S/C18H25N3O3/c22-18-19-8-12-21(18)14-5-9-20(10-6-14)11-7-15-13-23-16-3-1-2-4-17(16)24-15/h1-4,14-15H,5-13H2,(H,19,22)/t15-/m0/s1
InChIKey
CDFTVVPIMLXJRX-HNNXBMFYSA-N
Compound name
1-[1-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]piperidin-4-yl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

331.1896 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.196876 180.6
[M+Na]+ 354.178818 183.4
[M-H]- 330.182324 184.9
[M+NH4]+ 349.223423 188.5
[M+K]+ 370.152758 180.3
[M+H-H2O]+ 314.186860 169.7
[M+HCOO]- 376.187801 188.5
[M+CH3COO]- 390.203451 187.7
[M+Na-2H]- 352.164266 179.7
[M]+ 331.18905142 173.4
[M]- 331.19014858 173.4
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.