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 173.6
[M+Na]+ 331.14169 183.4
[M-H]- 307.14519 180.3
[M+NH4]+ 326.18629 190.3
[M+K]+ 347.11563 179.3
[M+H-H2O]+ 291.14973 164.1
[M+HCOO]- 353.15067 190.4
[M+CH3COO]- 367.16632 185.1
[M+Na-2H]- 329.12714 178.3
[M]+ 308.15192 175.9
[M]- 308.15302 175.9
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.