CID 4279909

9-chloro-2-(furan-2-yl)-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]

Structural Information

Molecular Formula
C21H24ClN3O2
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=CO4)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C21H24ClN3O2/c1-2-9-24-10-7-21(8-11-24)25-18(14-17(23-25)20-4-3-12-26-20)16-13-15(22)5-6-19(16)27-21/h3-6,12-13,18H,2,7-11,14H2,1H3
InChIKey
BHOJBSDIXNALLO-UHFFFAOYSA-N
Compound name
9-chloro-2-(furan-2-yl)-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

385.1557 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.162976 193.7
[M+Na]+ 408.144918 202.1
[M-H]- 384.148424 200.7
[M+NH4]+ 403.189523 207.0
[M+K]+ 424.118858 197.1
[M+H-H2O]+ 368.152960 183.4
[M+HCOO]- 430.153901 200.4
[M+CH3COO]- 444.169551 202.5
[M+Na-2H]- 406.130366 192.5
[M]+ 385.15515142 194.4
[M]- 385.15624858 194.4
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.