CID 3333135

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

Structural Information

Molecular Formula
C25H23ClN2O
SMILES
C1CCC2(CC1)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Cl
InChI
InChI=1S/C25H23ClN2O/c26-20-10-11-24-21(15-20)23-16-22(19-9-8-17-6-2-3-7-18(17)14-19)27-28(23)25(29-24)12-4-1-5-13-25/h2-3,6-11,14-15,23H,1,4-5,12-13,16H2
InChIKey
FUAJTTSBRFIAJX-UHFFFAOYSA-N
Compound name
9-chloro-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

402.1499 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.157176 198.1
[M+Na]+ 425.139118 206.1
[M-H]- 401.142624 205.8
[M+NH4]+ 420.183723 211.8
[M+K]+ 441.113058 197.9
[M+H-H2O]+ 385.147160 185.2
[M+HCOO]- 447.148101 204.2
[M+CH3COO]- 461.163751 206.0
[M+Na-2H]- 423.124566 199.9
[M]+ 402.14935142 195.2
[M]- 402.15044858 195.2
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.