CID 3121868

303060-75-5

Structural Information

Molecular Formula
C25H24N2O4
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=CC(=C(C=C5)OC)OC
InChI
InChI=1S/C25H24N2O4/c1-28-18-11-8-16(9-12-18)20-15-21-19-6-4-5-7-22(19)31-25(27(21)26-20)17-10-13-23(29-2)24(14-17)30-3/h4-14,21,25H,15H2,1-3H3
InChIKey
WXDUNGYJXQGYNK-UHFFFAOYSA-N
Compound name
5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1736 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18088 202.2
[M+Na]+ 439.16282 210.4
[M-H]- 415.16632 211.8
[M+NH4]+ 434.20742 211.8
[M+K]+ 455.13676 206.1
[M+H-H2O]+ 399.17086 190.6
[M+HCOO]- 461.17180 218.0
[M+CH3COO]- 475.18745 211.5
[M+Na-2H]- 437.14827 203.3
[M]+ 416.17305 206.7
[M]- 416.17415 206.7
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.