CID 3826158

303095-33-2

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 211.2
[M+Na]+ 492.12572 220.4
[M-H]- 468.12922 219.6
[M+NH4]+ 487.17032 223.8
[M+K]+ 508.09966 208.8
[M+H-H2O]+ 452.13376 206.9
[M+HCOO]- 514.13470 219.9
[M+CH3COO]- 528.15035 220.2
[M+Na-2H]- 490.11117 212.2
[M]+ 469.13595 228.3
[M]- 469.13705 228.3
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.