CID 4369850

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

Structural Information

Molecular Formula
C22H22Cl2N2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C(=CC(=C4)Cl)Cl)OC35CCCCC5
InChI
InChI=1S/C22H22Cl2N2O2/c1-27-16-7-5-14(6-8-16)19-13-20-17-11-15(23)12-18(24)21(17)28-22(26(20)25-19)9-3-2-4-10-22/h5-8,11-12,20H,2-4,9-10,13H2,1H3
InChIKey
GCJNRESINUJTOE-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.10583 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11311 199.0
[M+Na]+ 439.09505 208.2
[M-H]- 415.09855 205.8
[M+NH4]+ 434.13965 212.5
[M+K]+ 455.06899 201.2
[M+H-H2O]+ 399.10309 188.3
[M+HCOO]- 461.10403 201.8
[M+CH3COO]- 475.11968 207.3
[M+Na-2H]- 437.08050 199.1
[M]+ 416.10528 200.0
[M]- 416.10638 200.0
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.