CID 5072746

303060-39-1

Structural Information

Molecular Formula
C27H20Cl2N2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C27H20Cl2N2O/c1-16-6-8-18(9-7-16)27-31-25(22-13-21(28)14-23(29)26(22)32-27)15-24(30-31)20-11-10-17-4-2-3-5-19(17)12-20/h2-14,25,27H,15H2,1H3
InChIKey
JNMOFGLXVRBRIR-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(4-methylphenyl)-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

458.09528 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.10256 212.0
[M+Na]+ 481.08450 233.5
[M+NH4]+ 476.12910 222.8
[M+K]+ 497.05844 222.0
[M-H]- 457.08800 222.0
[M+Na-2H]- 479.06995 220.2
[M]+ 458.09473 219.1
[M]- 458.09583 219.1
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.