CID 4417022

303061-41-8

Structural Information

Molecular Formula
C23H17Cl2N3O4
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5=CC(=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C23H17Cl2N3O4/c1-31-17-7-5-13(6-8-17)20-12-21-18-10-15(24)11-19(25)22(18)32-23(27(21)26-20)14-3-2-4-16(9-14)28(29)30/h2-11,21,23H,12H2,1H3
InChIKey
JAWFJONXBRYERJ-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-(4-methoxyphenyl)-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

469.0596 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.06688 206.5
[M+Na]+ 492.04882 225.5
[M+NH4]+ 487.09342 215.0
[M+K]+ 508.02276 219.7
[M-H]- 468.05232 215.5
[M+Na-2H]- 490.03427 213.4
[M]+ 469.05905 212.6
[M]- 469.06015 212.6
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.