CID 11821086

N'-hydroxy-3-[2-[4-(1-isoquinolyl)piperazin-1-yl]-2-oxo-acetyl]-4-methoxy-1h-indole-7-carboxamidine

Structural Information

Molecular Formula
C25H24N6O4
SMILES
COC1=C2C(=CNC2=C(C=C1)/C(=N/O)/N)C(=O)C(=O)N3CCN(CC3)C4=NC=CC5=CC=CC=C54
InChI
InChI=1S/C25H24N6O4/c1-35-19-7-6-17(23(26)29-34)21-20(19)18(14-28-21)22(32)25(33)31-12-10-30(11-13-31)24-16-5-3-2-4-15(16)8-9-27-24/h2-9,14,28,34H,10-13H2,1H3,(H2,26,29)
InChIKey
FLWCQISINNHYEU-UHFFFAOYSA-N
Compound name
N'-hydroxy-3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1859 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.193176 208.4
[M+Na]+ 495.175118 212.8
[M-H]- 471.178624 213.1
[M+NH4]+ 490.219723 212.0
[M+K]+ 511.149058 206.8
[M+H-H2O]+ 455.183160 196.6
[M+HCOO]- 517.184101 220.2
[M+CH3COO]- 531.199751 213.9
[M+Na-2H]- 493.160566 208.7
[M]+ 472.18535142 205.7
[M]- 472.18644858 205.7
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.