CID 44205087

Chembl1819270

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC1=NN2C=CC=CC2=C1CCNCC3=CC=C(C=C3)/C=C/C(=O)NO
InChI
InChI=1S/C20H22N4O2/c1-15-18(19-4-2-3-13-24(19)22-15)11-12-21-14-17-7-5-16(6-8-17)9-10-20(25)23-26/h2-10,13,21,26H,11-12,14H2,1H3,(H,23,25)/b10-9+
InChIKey
IHGNUNALMOUXLG-MDZDMXLPSA-N
Compound name
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

350.1743 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 185.3
[M+Na]+ 373.16352 197.1
[M+NH4]+ 368.20812 191.0
[M+K]+ 389.13746 191.5
[M-H]- 349.16702 188.3
[M+Na-2H]- 371.14897 191.4
[M]+ 350.17375 187.5
[M]- 350.17485 187.5
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

patents stripe