CID 3719166

303104-51-0

Structural Information

Molecular Formula
C23H26BrN3O
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C23H26BrN3O/c1-2-12-26-13-10-23(11-14-26)27-21(19-15-18(24)8-9-22(19)28-23)16-20(25-27)17-6-4-3-5-7-17/h3-9,15,21H,2,10-14,16H2,1H3
InChIKey
DTKZRIKYXAEIIK-UHFFFAOYSA-N
Compound name
9-bromo-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

439.12592 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.13320 204.9
[M+Na]+ 462.11514 209.7
[M+NH4]+ 457.15974 211.1
[M+K]+ 478.08908 206.3
[M-H]- 438.11864 209.3
[M+Na-2H]- 460.10059 207.2
[M]+ 439.12537 206.0
[M]- 439.12647 206.0
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.