CID 4055023

303060-64-2

Structural Information

Molecular Formula
C26H17Cl2N3O3
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C26H17Cl2N3O3/c27-19-12-21-24-14-23(18-6-5-15-3-1-2-4-17(15)11-18)29-30(24)26(34-25(21)22(28)13-19)16-7-9-20(10-8-16)31(32)33/h1-13,24,26H,14H2
InChIKey
XLPSVOPLKSHQQR-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-naphthalen-2-yl-5-(4-nitrophenyl)-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

489.0647 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.07198 217.1
[M+Na]+ 512.05392 224.4
[M-H]- 488.05742 225.6
[M+NH4]+ 507.09852 224.4
[M+K]+ 528.02786 213.5
[M+H-H2O]+ 472.06196 209.5
[M+HCOO]- 534.06290 222.2
[M+CH3COO]- 548.07855 232.5
[M+Na-2H]- 510.03937 219.5
[M]+ 489.06415 219.4
[M]- 489.06525 219.4
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.