CID 5072747

303060-40-4

Structural Information

Molecular Formula
C27H20Cl2N2O2
SMILES
COC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C27H20Cl2N2O2/c1-32-21-10-8-17(9-11-21)27-31-25(22-13-20(28)14-23(29)26(22)33-27)15-24(30-31)19-7-6-16-4-2-3-5-18(16)12-19/h2-14,25,27H,15H2,1H3
InChIKey
MMACOWSOHGQJES-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(4-methoxyphenyl)-2-naphthalen-2-yl-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

474.09018 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.09746 214.7
[M+Na]+ 497.07940 235.7
[M+NH4]+ 492.12400 225.0
[M+K]+ 513.05334 224.7
[M-H]- 473.08290 224.3
[M+Na-2H]- 495.06485 222.6
[M]+ 474.08963 221.6
[M]- 474.09073 221.6
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.