CID 135537775

1-(4-morpholinylmethyl)-3-(4'-acetamidophenoxyacetylhydrazono)indolin-2-one

Structural Information

Molecular Formula
C23H25N5O5
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)N=NC2=C(N(C3=CC=CC=C32)CN4CCOCC4)O
InChI
InChI=1S/C23H25N5O5/c1-16(29)24-17-6-8-18(9-7-17)33-14-21(30)25-26-22-19-4-2-3-5-20(19)28(23(22)31)15-27-10-12-32-13-11-27/h2-9,31H,10-15H2,1H3,(H,24,29)
InChIKey
ZVQLZWSCHKZENJ-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.18558 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.19286 204.5
[M+Na]+ 474.17480 208.3
[M-H]- 450.17830 214.1
[M+NH4]+ 469.21940 210.8
[M+K]+ 490.14874 206.2
[M+H-H2O]+ 434.18284 192.7
[M+HCOO]- 496.18378 225.0
[M+CH3COO]- 510.19943 239.6
[M+Na-2H]- 472.16025 207.0
[M]+ 451.18503 207.1
[M]- 451.18613 207.1
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.