CID 3121891

303061-24-7

Structural Information

Molecular Formula
C23H18Cl2N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC(=CC=C5)Cl
InChI
InChI=1S/C23H18Cl2N2O2/c1-28-18-8-5-14(6-9-18)20-13-21-19-12-17(25)7-10-22(19)29-23(27(21)26-20)15-3-2-4-16(24)11-15/h2-12,21,23H,13H2,1H3
InChIKey
HCPSIQYAGJBZPL-UHFFFAOYSA-N
Compound name
9-chloro-5-(3-chlorophenyl)-2-(4-methoxyphenyl)-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

424.07452 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08180 201.6
[M+Na]+ 447.06374 212.4
[M-H]- 423.06724 210.1
[M+NH4]+ 442.10834 212.6
[M+K]+ 463.03768 205.1
[M+H-H2O]+ 407.07178 190.9
[M+HCOO]- 469.07272 208.1
[M+CH3COO]- 483.08837 210.8
[M+Na-2H]- 445.04919 202.0
[M]+ 424.07397 206.7
[M]- 424.07507 206.7
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.