CID 3844917

7,9-dichloro-5-(4-ethoxyphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C24H20Cl2N2O2
SMILES
CCOC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O2/c1-2-29-18-10-8-16(9-11-18)24-28-22(14-21(27-28)15-6-4-3-5-7-15)19-12-17(25)13-20(26)23(19)30-24/h3-13,22,24H,2,14H2,1H3
InChIKey
JVXNBKUJGKNQMW-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(4-ethoxyphenyl)-2-phenyl-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

438.09018 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09746 204.3
[M+Na]+ 461.07940 223.7
[M+NH4]+ 456.12400 213.9
[M+K]+ 477.05334 213.9
[M-H]- 437.08290 212.7
[M+Na-2H]- 459.06485 212.2
[M]+ 438.08963 210.5
[M]- 438.09073 210.5
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.