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]+ 403.15718 198.1
[M+Na]+ 425.13912 206.1
[M-H]- 401.14262 205.8
[M+NH4]+ 420.18372 211.8
[M+K]+ 441.11306 197.9
[M+H-H2O]+ 385.14716 185.2
[M+HCOO]- 447.14810 204.2
[M+CH3COO]- 461.16375 206.0
[M+Na-2H]- 423.12457 199.9
[M]+ 402.14935 195.2
[M]- 402.15045 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.