CID 4411364

5'-bromo-7,9-dichloro-2-phenyl-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)Cl)OC4(N2N=C1C5=CC=CC=C5)C6=C(C=CC(=C6)Br)NC4=O
InChI
InChI=1S/C23H14BrCl2N3O2/c24-13-6-7-18-16(8-13)23(22(30)27-18)29-20(11-19(28-29)12-4-2-1-3-5-12)15-9-14(25)10-17(26)21(15)31-23/h1-10,20H,11H2,(H,27,30)
InChIKey
MURGVYQVGSRXRF-UHFFFAOYSA-N
Compound name
5'-bromo-7,9-dichloro-2-phenylspiro[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 217.0
[M+Na]+ 535.95388 224.9
[M+NH4]+ 530.99848 223.3
[M+K]+ 551.92782 221.8
[M-H]- 511.95738 221.2
[M+Na-2H]- 533.93933 218.5
[M]+ 512.96411 219.1
[M]- 512.96521 219.1
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.