CID 3070831

86889-04-5

Structural Information

Molecular Formula
C19H20N6O2
SMILES
C1CN(CCN1CC(=O)N=NC2=C(NC3=CC=CC=C32)O)C4=CC=NC=C4
InChI
InChI=1S/C19H20N6O2/c26-17(22-23-18-15-3-1-2-4-16(15)21-19(18)27)13-24-9-11-25(12-10-24)14-5-7-20-8-6-14/h1-8,21,27H,9-13H2
InChIKey
XYFYGRPRGQWRSP-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.16476 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17204 183.4
[M+Na]+ 387.15398 189.2
[M-H]- 363.15748 188.7
[M+NH4]+ 382.19858 191.7
[M+K]+ 403.12792 183.1
[M+H-H2O]+ 347.16202 171.2
[M+HCOO]- 409.16296 201.4
[M+CH3COO]- 423.17861 191.7
[M+Na-2H]- 385.13943 187.8
[M]+ 364.16421 180.8
[M]- 364.16531 180.8
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.