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 204.2
[M+Na]+ 472.19552 207.5
[M-H]- 448.19902 213.0
[M+NH4]+ 467.24012 212.0
[M+K]+ 488.16946 203.7
[M+H-H2O]+ 432.20356 192.3
[M+HCOO]- 494.20450 225.1
[M+CH3COO]- 508.22015 239.9
[M+Na-2H]- 470.18097 205.8
[M]+ 449.20575 205.1
[M]- 449.20685 205.1
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.