CID 3826158

Chembl212506

Structural Information

Molecular Formula
C24H28BrN3O2
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C24H28BrN3O2/c1-3-12-27-13-10-24(11-14-27)28-22(20-15-18(25)6-9-23(20)30-24)16-21(26-28)17-4-7-19(29-2)8-5-17/h4-9,15,22H,3,10-14,16H2,1-2H3
InChIKey
DZZXFSLRKYTBEG-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-methoxyphenyl)-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.1365 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.14378 212.5
[M+Na]+ 492.12572 217.0
[M+NH4]+ 487.17032 218.0
[M+K]+ 508.09966 214.0
[M-H]- 468.12922 216.6
[M+Na-2H]- 490.11117 214.0
[M]+ 469.13595 213.4
[M]- 469.13705 213.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.