CID 135491425

Chembl3091650

Structural Information

Molecular Formula
C20H25N5O2
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CC(=C2O)CN3CCN(CC3)C
InChI
InChI=1S/C20H25N5O2/c1-15(22-23-20(27)16-6-8-21-9-7-16)18-5-3-4-17(19(18)26)14-25-12-10-24(2)11-13-25/h3-9,26H,10-14H2,1-2H3,(H,23,27)/b22-15+
InChIKey
YCJWMUVZUYPZJA-PXLXIMEGSA-N
Compound name
N-[(E)-1-[2-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

367.20084 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20812 189.8
[M+Na]+ 390.19006 192.9
[M-H]- 366.19356 194.5
[M+NH4]+ 385.23466 196.6
[M+K]+ 406.16400 187.9
[M+H-H2O]+ 350.19810 177.7
[M+HCOO]- 412.19904 205.9
[M+CH3COO]- 426.21469 221.7
[M+Na-2H]- 388.17551 191.3
[M]+ 367.20029 185.4
[M]- 367.20139 185.4
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.