CID 3393590

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

Structural Information

Molecular Formula
C23H14BrCl2N3O2
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC4(N2N=C1C5=CC=C(C=C5)Cl)C6=C(C=CC(=C6)Br)NC4=O
InChI
InChI=1S/C23H14BrCl2N3O2/c24-13-3-7-18-17(9-13)23(22(30)27-18)29-20(16-10-15(26)6-8-21(16)31-23)11-19(28-29)12-1-4-14(25)5-2-12/h1-10,20H,11H2,(H,27,30)
InChIKey
REGFMKWLINLGEF-UHFFFAOYSA-N
Compound name
5'-bromo-9-chloro-2-(4-chlorophenyl)spiro[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

512.96466 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.97194 212.1
[M+Na]+ 535.95388 227.5
[M-H]- 511.95738 221.6
[M+NH4]+ 530.99848 226.9
[M+K]+ 551.92782 213.6
[M+H-H2O]+ 495.96192 209.9
[M+HCOO]- 557.96286 214.2
[M+CH3COO]- 571.97851 222.3
[M+Na-2H]- 533.93933 212.1
[M]+ 512.96411 233.0
[M]- 512.96521 233.0
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.