CID 331152

Nsc321482

Structural Information

Molecular Formula
C22H23BrN2O5
SMILES
COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3)Br)N(C2=O)CN4CCOCC4)O
InChI
InChI=1S/C22H23BrN2O5/c1-29-17-5-2-15(3-6-17)20(26)13-22(28)18-12-16(23)4-7-19(18)25(21(22)27)14-24-8-10-30-11-9-24/h2-7,12,28H,8-11,13-14H2,1H3
InChIKey
HUGSYVHEPKRMQZ-UHFFFAOYSA-N
Compound name
5-bromo-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ylmethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

474.07904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.08632 204.0
[M+Na]+ 497.06826 212.3
[M-H]- 473.07176 213.1
[M+NH4]+ 492.11286 215.4
[M+K]+ 513.04220 202.3
[M+H-H2O]+ 457.07630 201.5
[M+HCOO]- 519.07724 214.8
[M+CH3COO]- 533.09289 226.7
[M+Na-2H]- 495.05371 204.2
[M]+ 474.07849 222.9
[M]- 474.07959 222.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.