CID 4601843

5'-bromo-2-(4-bromophenyl)-9-chloro-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,3'-indolin]-2'-one

Structural Information

Molecular Formula
C23H14Br2ClN3O2
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC4(N2N=C1C5=CC=C(C=C5)Br)C6=C(C=CC(=C6)Br)NC4=O
InChI
InChI=1S/C23H14Br2ClN3O2/c24-13-3-1-12(2-4-13)19-11-20-16-10-15(26)6-8-21(16)31-23(29(20)28-19)17-9-14(25)5-7-18(17)27-22(23)30/h1-10,20H,11H2,(H,27,30)
InChIKey
LMZFLMNQPZVJRQ-UHFFFAOYSA-N
Compound name
5'-bromo-2-(4-bromophenyl)-9-chlorospiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.9141 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.92138 203.0
[M+Na]+ 579.90332 215.3
[M-H]- 555.90682 212.9
[M+NH4]+ 574.94792 216.9
[M+K]+ 595.87726 201.1
[M+H-H2O]+ 539.91136 210.7
[M+HCOO]- 601.91230 207.3
[M+CH3COO]- 615.92795 213.1
[M+Na-2H]- 577.88877 204.0
[M]+ 556.91355 237.7
[M]- 556.91465 237.7
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.