CID 3377312

5-(1-acetyl-1h-indol-3-yl)-7,9-dichloro-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C26H18Cl3N3O2
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)C3N4C(CC(=N4)C5=CC=C(C=C5)Cl)C6=C(O3)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C26H18Cl3N3O2/c1-14(33)31-13-20(18-4-2-3-5-23(18)31)26-32-24(19-10-17(28)11-21(29)25(19)34-26)12-22(30-32)15-6-8-16(27)9-7-15/h2-11,13,24,26H,12H2,1H3
InChIKey
ACZZUIXOIFNCDL-UHFFFAOYSA-N
Compound name
1-[3-[7,9-dichloro-2-(4-chlorophenyl)-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

509.04645 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.05373 217.5
[M+Na]+ 532.03567 237.3
[M+NH4]+ 527.08027 226.3
[M+K]+ 548.00961 229.3
[M-H]- 508.03917 224.8
[M+Na-2H]- 530.02112 223.3
[M]+ 509.04590 223.6
[M]- 509.04700 223.6
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.