CID 5210609

303059-68-9

Structural Information

Molecular Formula
C24H20Cl2N2O3
SMILES
COC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O3/c1-29-17-7-3-14(4-8-17)21-13-22-19-11-16(25)12-20(26)23(19)31-24(28(22)27-21)15-5-9-18(30-2)10-6-15/h3-12,22,24H,13H2,1-2H3
InChIKey
NQRAZPROMDMJJQ-UHFFFAOYSA-N
Compound name
7,9-dichloro-2,5-bis(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

454.08508 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.09236 209.2
[M+Na]+ 477.07430 220.1
[M-H]- 453.07780 218.0
[M+NH4]+ 472.11890 219.1
[M+K]+ 493.04824 213.5
[M+H-H2O]+ 437.08234 198.4
[M+HCOO]- 499.08328 215.4
[M+CH3COO]- 513.09893 218.1
[M+Na-2H]- 475.05975 208.5
[M]+ 454.08453 216.3
[M]- 454.08563 216.3
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.