CID 4342775

303061-39-4

Structural Information

Molecular Formula
C23H17Cl3N2O3
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC3C5=C(C=CC(=C5)Cl)O
InChI
InChI=1S/C23H17Cl3N2O3/c1-30-15-5-2-12(3-6-15)19-11-20-16-9-14(25)10-18(26)22(16)31-23(28(20)27-19)17-8-13(24)4-7-21(17)29/h2-10,20,23,29H,11H2,1H3
InChIKey
QFYPFYUAEGVVAS-UHFFFAOYSA-N
Compound name
4-chloro-2-[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

474.0305 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.03778 209.1
[M+Na]+ 497.01972 228.2
[M+NH4]+ 492.06432 217.7
[M+K]+ 512.99366 219.2
[M-H]- 473.02322 216.2
[M+Na-2H]- 495.00517 215.4
[M]+ 474.02995 215.1
[M]- 474.03105 215.1
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.