CID 3317860

303060-22-2

Structural Information

Molecular Formula
C26H18ClN3O3
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC(=CC=C6)[N+](=O)[O-]
InChI
InChI=1S/C26H18ClN3O3/c27-20-10-11-25-22(14-20)24-15-23(18-9-8-16-4-1-2-5-17(16)12-18)28-29(24)26(33-25)19-6-3-7-21(13-19)30(31)32/h1-14,24,26H,15H2
InChIKey
VSKQRNGGDJUYNI-UHFFFAOYSA-N
Compound name
9-chloro-2-naphthalen-2-yl-5-(3-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

455.10367 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11095 208.8
[M+Na]+ 478.09289 215.2
[M-H]- 454.09639 218.1
[M+NH4]+ 473.13749 216.7
[M+K]+ 494.06683 204.3
[M+H-H2O]+ 438.10093 200.7
[M+HCOO]- 500.10187 218.9
[M+CH3COO]- 514.11752 227.7
[M+Na-2H]- 476.07834 212.9
[M]+ 455.10312 209.0
[M]- 455.10422 209.0
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.