CID 4462799

7,9-dichloro-2-(4-methoxyphenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclopentane]

Structural Information

Molecular Formula
C21H20Cl2N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC35CCCC5
InChI
InChI=1S/C21H20Cl2N2O2/c1-26-15-6-4-13(5-7-15)18-12-19-16-10-14(22)11-17(23)20(16)27-21(25(19)24-18)8-2-3-9-21/h4-7,10-11,19H,2-3,8-9,12H2,1H3
InChIKey
OMDQRBNDJUGASS-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.09018 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09746 196.3
[M+Na]+ 425.07940 206.9
[M-H]- 401.08290 204.1
[M+NH4]+ 420.12400 212.4
[M+K]+ 441.05334 200.0
[M+H-H2O]+ 385.08744 187.3
[M+HCOO]- 447.08838 201.7
[M+CH3COO]- 461.10403 205.9
[M+Na-2H]- 423.06485 194.8
[M]+ 402.08963 199.2
[M]- 402.09073 199.2
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.