CID 3040603

Dihydro-2-(1-piperidinylmethyl)-4-propyl-1,4-oxazepine-5,7(2h,6h)-dione monohydrobromide

Structural Information

Molecular Formula
C14H24N2O3
SMILES
CCCN1CC(OC(=O)CC1=O)CN2CCCCC2
InChI
InChI=1S/C14H24N2O3/c1-2-6-16-11-12(19-14(18)9-13(16)17)10-15-7-4-3-5-8-15/h12H,2-11H2,1H3
InChIKey
SKCNVADWOVTJQO-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-4-propyl-1,4-oxazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.17868 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.18596 166.8
[M+Na]+ 291.16790 174.8
[M+NH4]+ 286.21250 172.1
[M+K]+ 307.14184 170.7
[M-H]- 267.17140 168.9
[M+Na-2H]- 289.15335 169.0
[M]+ 268.17813 168.2
[M]- 268.17923 168.2
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.