CID 366678

Nsc635395

Structural Information

Molecular Formula
C25H22ClNO5
SMILES
CC1=C(C=CC2=C1NC(=O)C2(C(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC)O)Cl
InChI
InChI=1S/C25H22ClNO5/c1-14-20(26)13-12-19-22(14)27-24(29)25(19,30)21(15-4-8-17(31-2)9-5-15)23(28)16-6-10-18(32-3)11-7-16/h4-13,21,30H,1-3H3,(H,27,29)
InChIKey
KZYIIXMGQAFKGJ-UHFFFAOYSA-N
Compound name
3-[1,2-bis(4-methoxyphenyl)-2-oxoethyl]-6-chloro-3-hydroxy-7-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.11865 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.12593 205.2
[M+Na]+ 474.10787 213.8
[M-H]- 450.11137 212.7
[M+NH4]+ 469.15247 216.9
[M+K]+ 490.08181 207.5
[M+H-H2O]+ 434.11591 197.2
[M+HCOO]- 496.11685 216.5
[M+CH3COO]- 510.13250 227.6
[M+Na-2H]- 472.09332 203.1
[M]+ 451.11810 210.2
[M]- 451.11920 210.2
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.