CID 4417161

140473-08-1

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]+ 319.180496 176.4
[M+Na]+ 341.162438 182.5
[M-H]- 317.165944 183.5
[M+NH4]+ 336.207043 191.8
[M+K]+ 357.136378 176.9
[M+H-H2O]+ 301.170480 164.9
[M+HCOO]- 363.171421 189.2
[M+CH3COO]- 377.187071 185.7
[M+Na-2H]- 339.147886 180.4
[M]+ 318.17267142 170.7
[M]- 318.17376858 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.