CID 3333128

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

Structural Information

Molecular Formula
C24H22N2O
SMILES
C1CCC2(C1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2
InChI
InChI=1S/C24H22N2O/c1-2-8-18-15-19(12-11-17(18)7-1)21-16-22-20-9-3-4-10-23(20)27-24(26(22)25-21)13-5-6-14-24/h1-4,7-12,15,22H,5-6,13-14,16H2
InChIKey
KOOOCPPGGIKIKX-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17322 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18050 184.7
[M+Na]+ 377.16244 192.6
[M-H]- 353.16594 193.7
[M+NH4]+ 372.20704 201.5
[M+K]+ 393.13638 185.8
[M+H-H2O]+ 337.17048 173.7
[M+HCOO]- 399.17142 198.4
[M+CH3COO]- 413.18707 194.3
[M+Na-2H]- 375.14789 186.2
[M]+ 354.17267 181.4
[M]- 354.17377 181.4
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.