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 215.5
[M+Na]+ 498.07464 227.4
[M-H]- 474.07814 224.6
[M+NH4]+ 493.11924 225.8
[M+K]+ 514.04858 219.4
[M+H-H2O]+ 458.08268 204.7
[M+HCOO]- 520.08362 220.5
[M+CH3COO]- 534.09927 223.9
[M+Na-2H]- 496.06009 212.2
[M]+ 475.08487 222.0
[M]- 475.08597 222.0
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.