CID 5191741

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

Structural Information

Molecular Formula
C23H24BrCl2N3O
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H24BrCl2N3O/c1-2-9-28-10-7-23(8-11-28)29-21(18-12-17(25)13-19(26)22(18)30-23)14-20(27-29)15-3-5-16(24)6-4-15/h3-6,12-13,21H,2,7-11,14H2,1H3
InChIKey
MCBGWELZRDYLET-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-7,9-dichloro-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

507.04797 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.05525 213.4
[M+Na]+ 530.03719 225.5
[M-H]- 506.04069 221.2
[M+NH4]+ 525.08179 226.3
[M+K]+ 546.01113 211.6
[M+H-H2O]+ 490.04523 209.6
[M+HCOO]- 552.04617 213.1
[M+CH3COO]- 566.06182 222.3
[M+Na-2H]- 528.02264 213.1
[M]+ 507.04742 232.3
[M]- 507.04852 232.3
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.