CID 3282346

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

Structural Information

Molecular Formula
C25H24N2O
SMILES
C1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2
InChI
InChI=1S/C25H24N2O/c1-6-14-25(15-7-1)27-23(21-10-4-5-11-24(21)28-25)17-22(26-27)20-13-12-18-8-2-3-9-19(18)16-20/h2-5,8-13,16,23H,1,6-7,14-15,17H2
InChIKey
RGCGDKCMNBABJS-UHFFFAOYSA-N
Compound name
2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18887 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19615 189.3
[M+Na]+ 391.17809 195.7
[M-H]- 367.18159 197.1
[M+NH4]+ 386.22269 203.3
[M+K]+ 407.15203 188.5
[M+H-H2O]+ 351.18613 176.2
[M+HCOO]- 413.18707 200.1
[M+CH3COO]- 427.20272 197.4
[M+Na-2H]- 389.16354 192.5
[M]+ 368.18832 183.6
[M]- 368.18942 183.6
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.