CID 3121880

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

Structural Information

Molecular Formula
C22H23ClN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC35CCCCC5
InChI
InChI=1S/C22H23ClN2O2/c1-26-17-8-5-15(6-9-17)19-14-20-18-13-16(23)7-10-21(18)27-22(25(20)24-19)11-3-2-4-12-22/h5-10,13,20H,2-4,11-12,14H2,1H3
InChIKey
DQUOYOVNSNFZAS-UHFFFAOYSA-N
Compound name
9-chloro-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

382.1448 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15208 192.5
[M+Na]+ 405.13402 200.5
[M-H]- 381.13752 199.8
[M+NH4]+ 400.17862 206.6
[M+K]+ 421.10796 194.2
[M+H-H2O]+ 365.14206 181.4
[M+HCOO]- 427.14300 200.3
[M+CH3COO]- 441.15865 201.3
[M+Na-2H]- 403.11947 194.1
[M]+ 382.14425 191.7
[M]- 382.14535 191.7
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.