CID 3121896

303059-69-0

Structural Information

Molecular Formula
C25H23ClN2O3
SMILES
CCOC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C25H23ClN2O3/c1-3-30-20-11-6-17(7-12-20)25-28-23(21-14-18(26)8-13-24(21)31-25)15-22(27-28)16-4-9-19(29-2)10-5-16/h4-14,23,25H,3,15H2,1-2H3
InChIKey
LGKFCFJNPBUVHO-UHFFFAOYSA-N
Compound name
9-chloro-5-(4-ethoxyphenyl)-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

434.1397 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14698 207.0
[M+Na]+ 457.12892 216.3
[M-H]- 433.13242 216.2
[M+NH4]+ 452.17352 216.9
[M+K]+ 473.10286 210.0
[M+H-H2O]+ 417.13696 195.7
[M+HCOO]- 479.13790 218.0
[M+CH3COO]- 493.15355 215.9
[M+Na-2H]- 455.11437 207.3
[M]+ 434.13915 212.5
[M]- 434.14025 212.5
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.