CID 4643119

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

Structural Information

Molecular Formula
C24H18BrClN2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H18BrClN2O3/c1-30-18-9-4-14(5-10-18)20-13-21-19-12-16(25)6-11-22(19)31-24(28(21)27-20)23(29)15-2-7-17(26)8-3-15/h2-12,21,24H,13H2,1H3
InChIKey
NDBVXOCSBHDYIO-UHFFFAOYSA-N
Compound name
[9-bromo-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.01892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.02620 212.6
[M+Na]+ 519.00814 224.2
[M-H]- 495.01164 224.1
[M+NH4]+ 514.05274 224.0
[M+K]+ 534.98208 212.2
[M+H-H2O]+ 479.01618 209.5
[M+HCOO]- 541.01712 221.4
[M+CH3COO]- 555.03277 223.0
[M+Na-2H]- 516.99359 213.3
[M]+ 496.01837 234.9
[M]- 496.01947 234.9
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.