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]+ 412.23833 203.9
[M+Na]+ 434.22027 210.0
[M-H]- 410.22377 210.0
[M+NH4]+ 429.26487 214.8
[M+K]+ 450.19421 202.3
[M+H-H2O]+ 394.22831 189.4
[M+HCOO]- 456.22925 212.4
[M+CH3COO]- 470.24490 210.5
[M+Na-2H]- 432.20572 205.0
[M]+ 411.23050 199.5
[M]- 411.23160 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.