CID 5102851

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

Structural Information

Molecular Formula
C21H13BrClN3O3
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC4(N2N=C1C5=CC=CO5)C6=C(C=CC(=C6)Br)NC4=O
InChI
InChI=1S/C21H13BrClN3O3/c22-11-3-5-15-14(8-11)21(20(27)24-15)26-17(10-16(25-26)19-2-1-7-28-19)13-9-12(23)4-6-18(13)29-21/h1-9,17H,10H2,(H,24,27)
InChIKey
FMDWZUMVTLZOKW-UHFFFAOYSA-N
Compound name
5'-bromo-9-chloro-2-(furan-2-yl)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

468.98288 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.99016 203.0
[M+Na]+ 491.97210 217.9
[M-H]- 467.97560 214.5
[M+NH4]+ 487.01670 219.4
[M+K]+ 507.94604 207.0
[M+H-H2O]+ 451.98014 203.1
[M+HCOO]- 513.98108 210.8
[M+CH3COO]- 527.99673 214.8
[M+Na-2H]- 489.95755 202.4
[M]+ 468.98233 224.6
[M]- 468.98343 224.6
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.