CID 366647

Nsc635322

Structural Information

Molecular Formula
C22H16BrNO3
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)Br)NC3=O)O
InChI
InChI=1S/C22H16BrNO3/c23-16-11-12-18-17(13-16)22(27,21(26)24-18)19(14-7-3-1-4-8-14)20(25)15-9-5-2-6-10-15/h1-13,19,27H,(H,24,26)
InChIKey
YKEDCAYCWFVNAF-UHFFFAOYSA-N
Compound name
5-bromo-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.03137 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.03865 194.2
[M+Na]+ 444.02059 203.4
[M-H]- 420.02409 203.4
[M+NH4]+ 439.06519 209.3
[M+K]+ 459.99453 190.4
[M+H-H2O]+ 404.02863 192.7
[M+HCOO]- 466.02957 208.6
[M+CH3COO]- 480.04522 204.9
[M+Na-2H]- 442.00604 196.0
[M]+ 421.03082 210.3
[M]- 421.03192 210.3
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.