CID 379976

Nsc665283

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C=CCN1CCC2(CC1)NC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C15H18N2O2/c1-2-9-17-10-7-15(8-11-17)16-14(18)12-5-3-4-6-13(12)19-15/h2-6H,1,7-11H2,(H,16,18)
InChIKey
XEXOGMOPZTVUDM-UHFFFAOYSA-N
Compound name
1'-prop-2-enylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 160.7
[M+Na]+ 281.12606 166.9
[M-H]- 257.12956 162.7
[M+NH4]+ 276.17066 175.8
[M+K]+ 297.10000 162.7
[M+H-H2O]+ 241.13410 151.8
[M+HCOO]- 303.13504 172.9
[M+CH3COO]- 317.15069 170.3
[M+Na-2H]- 279.11151 166.5
[M]+ 258.13629 154.7
[M]- 258.13739 154.7
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.