CID 4139059

5-(1-acetyl-1h-indol-3-yl)-7,9-dichloro-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C26H19Cl2N3O2
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)C3N4C(CC(=N4)C5=CC=CC=C5)C6=C(O3)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C26H19Cl2N3O2/c1-15(32)30-14-20(18-9-5-6-10-23(18)30)26-31-24(13-22(29-31)16-7-3-2-4-8-16)19-11-17(27)12-21(28)25(19)33-26/h2-12,14,24,26H,13H2,1H3
InChIKey
VIYRZWNYJGMYES-UHFFFAOYSA-N
Compound name
1-[3-(7,9-dichloro-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)indol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.08542 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.09270 211.6
[M+Na]+ 498.07464 231.2
[M+NH4]+ 493.11924 220.6
[M+K]+ 514.04858 223.9
[M-H]- 474.07814 219.4
[M+Na-2H]- 496.06009 218.1
[M]+ 475.08487 217.6
[M]- 475.08597 217.6
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.