CID 3308653

303060-21-1

Structural Information

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

455.10367 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11095 206.9
[M+Na]+ 478.09289 226.8
[M+NH4]+ 473.13749 216.5
[M+K]+ 494.06683 219.9
[M-H]- 454.09639 217.6
[M+Na-2H]- 476.07834 214.9
[M]+ 455.10312 213.4
[M]- 455.10422 213.4
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.