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]+ 309.159746 173.6
[M+Na]+ 331.141688 183.4
[M-H]- 307.145194 180.3
[M+NH4]+ 326.186293 190.3
[M+K]+ 347.115628 179.3
[M+H-H2O]+ 291.149730 164.1
[M+HCOO]- 353.150671 190.4
[M+CH3COO]- 367.166321 185.1
[M+Na-2H]- 329.127136 178.3
[M]+ 308.15192142 175.9
[M]- 308.15301858 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.