CID 3606922

302904-04-7

Structural Information

Molecular Formula
C22H15Cl2N3O3
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H15Cl2N3O3/c23-15-10-17-20-12-19(13-5-2-1-3-6-13)25-26(20)22(30-21(17)18(24)11-15)14-7-4-8-16(9-14)27(28)29/h1-11,20,22H,12H2
InChIKey
ABTVVKFKTBEZOQ-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-(3-nitrophenyl)-2-phenyl-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

439.04904 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.05632 204.3
[M+Na]+ 462.03826 211.9
[M-H]- 438.04176 212.3
[M+NH4]+ 457.08286 213.0
[M+K]+ 478.01220 201.5
[M+H-H2O]+ 422.04630 198.0
[M+HCOO]- 484.04724 211.4
[M+CH3COO]- 498.06289 221.8
[M+Na-2H]- 460.02371 207.0
[M]+ 439.04849 206.3
[M]- 439.04959 206.3
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.