CID 5158250

2,4-dichloro-6-[7,9-dichloro-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol

Structural Information

Molecular Formula
C23H16Cl4N2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5=C(C(=CC(=C5)Cl)Cl)O
InChI
InChI=1S/C23H16Cl4N2O3/c1-31-14-4-2-11(3-5-14)19-10-20-15-6-12(24)9-18(27)22(15)32-23(29(20)28-19)16-7-13(25)8-17(26)21(16)30/h2-9,20,23,30H,10H2,1H3
InChIKey
KQZBLPIXJVSYRH-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-[7,9-dichloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.99152 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.99880 213.8
[M+Na]+ 530.98074 225.4
[M-H]- 506.98424 218.7
[M+NH4]+ 526.02534 221.5
[M+K]+ 546.95468 219.2
[M+H-H2O]+ 490.98878 204.7
[M+HCOO]- 552.98972 208.3
[M+CH3COO]- 567.00537 220.5
[M+Na-2H]- 528.96619 209.9
[M]+ 507.99097 219.7
[M]- 507.99207 219.7
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.