CID 4417161

2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1CCC2(CC1)N3C(CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5O2
InChI
InChI=1S/C21H22N2O/c1-3-9-16(10-4-1)18-15-19-17-11-5-6-12-20(17)24-21(23(19)22-18)13-7-2-8-14-21/h1,3-6,9-12,19H,2,7-8,13-15H2
InChIKey
KEGFGPIAIGHPHO-UHFFFAOYSA-N
Compound name
2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 176.4
[M+Na]+ 341.16244 182.5
[M-H]- 317.16594 183.5
[M+NH4]+ 336.20704 191.8
[M+K]+ 357.13638 176.9
[M+H-H2O]+ 301.17048 164.9
[M+HCOO]- 363.17142 189.2
[M+CH3COO]- 377.18707 185.7
[M+Na-2H]- 339.14789 180.4
[M]+ 318.17267 170.7
[M]- 318.17377 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.