CID 135537774

81820-04-4

Structural Information

Molecular Formula
C24H27N5O4
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)N=NC2=C(N(C3=CC=CC=C32)CN4CCCCC4)O
InChI
InChI=1S/C24H27N5O4/c1-17(30)25-18-9-11-19(12-10-18)33-15-22(31)26-27-23-20-7-3-4-8-21(20)29(24(23)32)16-28-13-5-2-6-14-28/h3-4,7-12,32H,2,5-6,13-16H2,1H3,(H,25,30)
InChIKey
KCTTWJKTZQPPHK-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.2063 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.21358 207.1
[M+Na]+ 472.19552 217.0
[M+NH4]+ 467.24012 211.7
[M+K]+ 488.16946 212.7
[M-H]- 448.19902 212.2
[M+Na-2H]- 470.18097 213.2
[M]+ 449.20575 209.4
[M]- 449.20685 209.4
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.