CID 3403832

302914-20-1

Structural Information

Molecular Formula
C23H16Cl2N2O3
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C23H16Cl2N2O3/c24-15-9-16-19-11-18(13-4-2-1-3-5-13)26-27(19)23(30-22(16)17(25)10-15)14-6-7-20-21(8-14)29-12-28-20/h1-10,19,23H,11-12H2
InChIKey
MMVXZRVACCTCHY-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-7,9-dichloro-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

438.0538 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.06108 203.4
[M+Na]+ 461.04302 214.5
[M-H]- 437.04652 214.3
[M+NH4]+ 456.08762 213.7
[M+K]+ 477.01696 210.0
[M+H-H2O]+ 421.05106 194.6
[M+HCOO]- 483.05200 207.2
[M+CH3COO]- 497.06765 212.8
[M+Na-2H]- 459.02847 202.0
[M]+ 438.05325 209.3
[M]- 438.05435 209.3
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.