CID 3258327

303059-78-1

Structural Information

Molecular Formula
C26H24Cl2N2O
SMILES
C1CCC(CC1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C26H24Cl2N2O/c27-20-13-21-24-15-23(19-11-10-16-6-4-5-9-18(16)12-19)29-30(24)26(17-7-2-1-3-8-17)31-25(21)22(28)14-20/h4-6,9-14,17,24,26H,1-3,7-8,15H2
InChIKey
GEENFNFPCNHBDI-UHFFFAOYSA-N
Compound name
7,9-dichloro-5-cyclohexyl-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.12656 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.13384 210.1
[M+Na]+ 473.11578 217.8
[M-H]- 449.11928 217.6
[M+NH4]+ 468.16038 220.2
[M+K]+ 489.08972 209.2
[M+H-H2O]+ 433.12382 198.0
[M+HCOO]- 495.12476 210.7
[M+CH3COO]- 509.14041 216.8
[M+Na-2H]- 471.10123 207.8
[M]+ 450.12601 209.0
[M]- 450.12711 209.0
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.