CID 3463160

4-br-2-(7,9-di-cl-2-ph-1,10b-dihydropyrazolo(1,5-c)(1,3)benzoxazin-5-yl)phenol

Structural Information

Molecular Formula
C22H15BrCl2N2O2
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=CC=C4)C5=C(C=CC(=C5)Br)O
InChI
InChI=1S/C22H15BrCl2N2O2/c23-13-6-7-20(28)16(8-13)22-27-19(11-18(26-27)12-4-2-1-3-5-12)15-9-14(24)10-17(25)21(15)29-22/h1-10,19,22,28H,11H2
InChIKey
DKOXKNWDFOGJHH-UHFFFAOYSA-N
Compound name
4-bromo-2-(7,9-dichloro-2-phenyl-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

487.9694 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.97668 207.1
[M+Na]+ 510.95862 220.9
[M-H]- 486.96212 217.1
[M+NH4]+ 506.00322 219.4
[M+K]+ 526.93256 207.2
[M+H-H2O]+ 470.96666 204.8
[M+HCOO]- 532.96760 211.0
[M+CH3COO]- 546.98325 217.6
[M+Na-2H]- 508.94407 208.0
[M]+ 487.96885 228.6
[M]- 487.96995 228.6
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.