CID 4339372

2-chloro-9-phenylspiro[10ah-benzo[e]2-pyrazolino[1,5-c]1,3-oxazine-6,1'-cyclop entane]

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
C1CCC2(C1)N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C20H19ClN2O/c21-15-8-9-19-16(12-15)18-13-17(14-6-2-1-3-7-14)22-23(18)20(24-19)10-4-5-11-20/h1-3,6-9,12,18H,4-5,10-11,13H2
InChIKey
AVEINBRSSSIIRE-UHFFFAOYSA-N
Compound name
9-chloro-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1186 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 178.2
[M+Na]+ 361.10782 193.8
[M+NH4]+ 356.15242 190.2
[M+K]+ 377.08176 185.9
[M-H]- 337.11132 185.4
[M+Na-2H]- 359.09327 185.8
[M]+ 338.11805 183.2
[M]- 338.11915 183.2
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.