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]+ 473.19318 208.4
[M+Na]+ 495.17512 212.8
[M-H]- 471.17862 213.1
[M+NH4]+ 490.21972 212.0
[M+K]+ 511.14906 206.8
[M+H-H2O]+ 455.18316 196.6
[M+HCOO]- 517.18410 220.2
[M+CH3COO]- 531.19975 213.9
[M+Na-2H]- 493.16057 208.7
[M]+ 472.18535 205.7
[M]- 472.18645 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.