CID 460601

Z56782406

Structural Information

Molecular Formula
C22H24N4O4
SMILES
CC1=CC(=CC=C1)OCC(=O)N=NC2=C(N(C3=CC=CC=C32)CN4CCOCC4)O
InChI
InChI=1S/C22H24N4O4/c1-16-5-4-6-17(13-16)30-14-20(27)23-24-21-18-7-2-3-8-19(18)26(22(21)28)15-25-9-11-29-12-10-25/h2-8,13,28H,9-12,14-15H2,1H3
InChIKey
YMPDOLAENQSPLV-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(3-methylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.17975 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18703 196.3
[M+Na]+ 431.16897 201.9
[M-H]- 407.17247 206.0
[M+NH4]+ 426.21357 205.0
[M+K]+ 447.14291 198.9
[M+H-H2O]+ 391.17701 184.8
[M+HCOO]- 453.17795 216.8
[M+CH3COO]- 467.19360 229.4
[M+Na-2H]- 429.15442 199.1
[M]+ 408.17920 199.1
[M]- 408.18030 199.1
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.