CID 118753342

Chembl3527527

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CC1=C(C2=C(N1)C=C(C=C2)O)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO
InChI
InChI=1S/C21H23N3O3/c1-14-18(19-8-7-17(25)12-20(19)23-14)10-11-22-13-16-4-2-15(3-5-16)6-9-21(26)24-27/h2-9,12,22-23,25,27H,10-11,13H2,1H3,(H,24,26)/b9-6+
InChIKey
YGFAIWRXVGWGFM-RMKNXTFCSA-N
Compound name
(E)-N-hydroxy-3-[4-[[2-(6-hydroxy-2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 186.6
[M+Na]+ 388.16317 192.8
[M-H]- 364.16667 189.4
[M+NH4]+ 383.20777 198.0
[M+K]+ 404.13711 185.5
[M+H-H2O]+ 348.17121 178.3
[M+HCOO]- 410.17215 206.7
[M+CH3COO]- 424.18780 215.2
[M+Na-2H]- 386.14862 188.5
[M]+ 365.17340 186.4
[M]- 365.17450 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.