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]+ 386.16298 193.7
[M+Na]+ 408.14492 202.1
[M-H]- 384.14842 200.7
[M+NH4]+ 403.18952 207.0
[M+K]+ 424.11886 197.1
[M+H-H2O]+ 368.15296 183.4
[M+HCOO]- 430.15390 200.4
[M+CH3COO]- 444.16955 202.5
[M+Na-2H]- 406.13037 192.5
[M]+ 385.15515 194.4
[M]- 385.15625 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.