CID 3317862

303060-24-4

Structural Information

Molecular Formula
C26H18Cl2N2O
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C26H18Cl2N2O/c27-20-9-7-17(8-10-20)26-30-24(22-14-21(28)11-12-25(22)31-26)15-23(29-30)19-6-5-16-3-1-2-4-18(16)13-19/h1-14,24,26H,15H2
InChIKey
KPXCDYNSCDFYFE-UHFFFAOYSA-N
Compound name
9-chloro-5-(4-chlorophenyl)-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

444.07962 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.08690 207.6
[M+Na]+ 467.06884 218.3
[M-H]- 443.07234 216.3
[M+NH4]+ 462.11344 218.2
[M+K]+ 483.04278 209.4
[M+H-H2O]+ 427.07688 195.6
[M+HCOO]- 489.07782 212.3
[M+CH3COO]- 503.09347 215.9
[M+Na-2H]- 465.05429 208.3
[M]+ 444.07907 210.8
[M]- 444.08017 210.8
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.