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]+ 452.192856 204.5
[M+Na]+ 474.174798 208.3
[M-H]- 450.178304 214.1
[M+NH4]+ 469.219403 210.8
[M+K]+ 490.148738 206.2
[M+H-H2O]+ 434.182840 192.7
[M+HCOO]- 496.183781 225.0
[M+CH3COO]- 510.199431 239.6
[M+Na-2H]- 472.160246 207.0
[M]+ 451.18503142 207.1
[M]- 451.18612858 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.