CID 3893614

303060-06-2

Structural Information

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

421.14264 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.14992 199.8
[M+Na]+ 444.13186 218.4
[M+NH4]+ 439.17646 209.1
[M+K]+ 460.10580 212.4
[M-H]- 420.13536 210.3
[M+Na-2H]- 442.11731 208.0
[M]+ 421.14209 205.7
[M]- 421.14319 205.7
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.