CID 4416603

9-bromo-2-(4-bromophenyl)-5',5'-dimethyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohex[2]en]-3'-ol

Structural Information

Molecular Formula
C23H22Br2N2O2
SMILES
CC1(CC(=CC2(C1)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(O2)C=CC(=C5)Br)O)C
InChI
InChI=1S/C23H22Br2N2O2/c1-22(2)11-17(28)12-23(13-22)27-20(18-9-16(25)7-8-21(18)29-23)10-19(26-27)14-3-5-15(24)6-4-14/h3-9,12,20,28H,10-11,13H2,1-2H3
InChIKey
AGLYVYHSQGIILI-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-bromophenyl)-5',5'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-cyclohexene]-1'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0048 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.01208 203.2
[M+Na]+ 538.99402 199.0
[M+NH4]+ 534.03862 206.5
[M+K]+ 554.96796 202.2
[M-H]- 514.99752 206.2
[M+Na-2H]- 536.97947 203.5
[M]+ 516.00425 202.8
[M]- 516.00535 202.8
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.