CID 4205493

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

Structural Information

Molecular Formula
C27H29N3O
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2
InChI
InChI=1S/C27H29N3O/c1-2-15-29-16-13-27(14-17-29)30-25(23-9-5-6-10-26(23)31-27)19-24(28-30)22-12-11-20-7-3-4-8-21(20)18-22/h3-12,18,25H,2,13-17,19H2,1H3
InChIKey
VFAWGBCDSAPHQM-UHFFFAOYSA-N
Compound name
2-naphthalen-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

411.23105 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.238326 203.9
[M+Na]+ 434.220268 210.0
[M-H]- 410.223774 210.0
[M+NH4]+ 429.264873 214.8
[M+K]+ 450.194208 202.3
[M+H-H2O]+ 394.228310 189.4
[M+HCOO]- 456.229251 212.4
[M+CH3COO]- 470.244901 210.5
[M+Na-2H]- 432.205716 205.0
[M]+ 411.23050142 199.5
[M]- 411.23159858 199.5
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.