CID 4080765

7,9-dichloro-2-phenyl-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]

Structural Information

Molecular Formula
C23H25Cl2N3O
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H25Cl2N3O/c1-2-10-27-11-8-23(9-12-27)28-21(15-20(26-28)16-6-4-3-5-7-16)18-13-17(24)14-19(25)22(18)29-23/h3-7,13-14,21H,2,8-12,15H2,1H3
InChIKey
QZCIBPXNJXCHRN-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-phenyl-1'-propylspiro[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

429.13748 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.14476 202.6
[M+Na]+ 452.12670 219.5
[M+NH4]+ 447.17130 213.3
[M+K]+ 468.10064 208.5
[M-H]- 428.13020 209.4
[M+Na-2H]- 450.11215 209.0
[M]+ 429.13693 207.9
[M]- 429.13803 207.9
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.