CID 3121851

58721-54-3

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC1(N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4O1)C
InChI
InChI=1S/C19H20N2O2/c1-19(2)21-17(15-6-4-5-7-18(15)23-19)12-16(20-21)13-8-10-14(22-3)11-9-13/h4-11,17H,12H2,1-3H3
InChIKey
HNUUQALCDNASOU-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.1
[M+Na]+ 331.14169 188.9
[M+NH4]+ 326.18629 183.7
[M+K]+ 347.11563 180.5
[M-H]- 307.14519 179.1
[M+Na-2H]- 329.12714 180.7
[M]+ 308.15192 177.5
[M]- 308.15302 177.5
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.