CID 3121874

303061-14-5

Structural Information

Molecular Formula
C23H18Cl2N2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=C(C(=CC(=C5)Cl)Cl)O
InChI
InChI=1S/C23H18Cl2N2O3/c1-29-15-8-6-13(7-9-15)19-12-20-16-4-2-3-5-21(16)30-23(27(20)26-19)17-10-14(24)11-18(25)22(17)28/h2-11,20,23,28H,12H2,1H3
InChIKey
FZQZREQQVSMDCE-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-[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

440.06946 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.07674 203.9
[M+Na]+ 463.05868 214.8
[M-H]- 439.06218 211.7
[M+NH4]+ 458.10328 213.8
[M+K]+ 479.03262 207.7
[M+H-H2O]+ 423.06672 193.9
[M+HCOO]- 485.06766 209.1
[M+CH3COO]- 499.08331 212.7
[M+Na-2H]- 461.04413 203.6
[M]+ 440.06891 209.2
[M]- 440.07001 209.2
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.