CID 5072750

303060-44-8

Structural Information

Molecular Formula
C28H21ClN2O2
SMILES
CC1=CC=C(C=C1)C(=O)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Cl
InChI
InChI=1S/C28H21ClN2O2/c1-17-6-8-19(9-7-17)27(32)28-31-25(23-15-22(29)12-13-26(23)33-28)16-24(30-31)21-11-10-18-4-2-3-5-20(18)14-21/h2-15,25,28H,16H2,1H3
InChIKey
IKROOTNAKNALID-UHFFFAOYSA-N
Compound name
(9-chloro-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.12915 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.13643 210.8
[M+Na]+ 475.11837 230.5
[M+NH4]+ 470.16297 220.5
[M+K]+ 491.09231 220.8
[M-H]- 451.12187 220.2
[M+Na-2H]- 473.10382 218.6
[M]+ 452.12860 217.0
[M]- 452.12970 217.0
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.