CID 3333127

303060-50-6

Structural Information

Molecular Formula
C26H19N3O3
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C26H19N3O3/c30-29(31)21-13-11-18(12-14-21)26-28-24(22-7-3-4-8-25(22)32-26)16-23(27-28)20-10-9-17-5-1-2-6-19(17)15-20/h1-15,24,26H,16H2
InChIKey
DSARVHAOKOXGML-UHFFFAOYSA-N
Compound name
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

421.14264 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.14992 198.6
[M+Na]+ 444.13186 203.8
[M-H]- 420.13536 208.3
[M+NH4]+ 439.17646 206.8
[M+K]+ 460.10580 193.6
[M+H-H2O]+ 404.13990 190.2
[M+HCOO]- 466.14084 213.5
[M+CH3COO]- 480.15649 223.2
[M+Na-2H]- 442.11731 204.3
[M]+ 421.14209 195.8
[M]- 421.14319 195.8
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.