CID 3121894

303061-22-5

Structural Information

Molecular Formula
C25H23ClN2O4
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC(=C(C=C5)OC)OC
InChI
InChI=1S/C25H23ClN2O4/c1-29-18-8-4-15(5-9-18)20-14-21-19-13-17(26)7-11-22(19)32-25(28(21)27-20)16-6-10-23(30-2)24(12-16)31-3/h4-13,21,25H,14H2,1-3H3
InChIKey
BFJOCYFSSYKAAR-UHFFFAOYSA-N
Compound name
9-chloro-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

450.13464 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.14192 210.2
[M+Na]+ 473.12386 220.0
[M-H]- 449.12736 219.9
[M+NH4]+ 468.16846 219.6
[M+K]+ 489.09780 214.7
[M+H-H2O]+ 433.13190 199.0
[M+HCOO]- 495.13284 221.3
[M+CH3COO]- 509.14849 219.3
[M+Na-2H]- 471.10931 210.0
[M]+ 450.13409 217.6
[M]- 450.13519 217.6
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.