CID 5166391

[7,9-dichloro-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl](4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C24H17Cl3N2O3
SMILES
COC1=CC=C(C=C1)C(=O)C2N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C24H17Cl3N2O3/c1-31-17-8-4-14(5-9-17)22(30)24-29-21(18-10-16(26)11-19(27)23(18)32-24)12-20(28-29)13-2-6-15(25)7-3-13/h2-11,21,24H,12H2,1H3
InChIKey
ORAFLQAYYOEGGP-UHFFFAOYSA-N
Compound name
[7,9-dichloro-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.0305 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.03778 212.1
[M+Na]+ 509.01972 222.7
[M-H]- 485.02322 219.5
[M+NH4]+ 504.06432 220.7
[M+K]+ 524.99366 216.1
[M+H-H2O]+ 469.02776 202.0
[M+HCOO]- 531.02870 212.3
[M+CH3COO]- 545.04435 219.8
[M+Na-2H]- 507.00517 209.6
[M]+ 486.02995 218.6
[M]- 486.03105 218.6
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.