CID 3742266

786674-04-2

Structural Information

Molecular Formula
C22H24ClN3O2
SMILES
CN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C22H24ClN3O2/c1-25-11-9-22(10-12-25)26-20(18-13-16(23)5-8-21(18)28-22)14-19(24-26)15-3-6-17(27-2)7-4-15/h3-8,13,20H,9-12,14H2,1-2H3
InChIKey
VPRJBJBOZANNAB-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-methoxyphenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.1557 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16298 196.0
[M+Na]+ 420.14492 212.2
[M+NH4]+ 415.18952 206.4
[M+K]+ 436.11886 202.7
[M-H]- 396.14842 202.7
[M+Na-2H]- 418.13037 202.5
[M]+ 397.15515 200.8
[M]- 397.15625 200.8
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.