CID 11821088

Acetic acid, cyano-, 2-[imino[3-[2-[4-(1-isoquinolinyl)-1-piperazinyl]-1,2-dioxoethyl]-4-methoxy-1h-indol-7-yl]methyl]hydrazide

Structural Information

Molecular Formula
C28H26N8O4
SMILES
COC1=C2C(=CNC2=C(C=C1)/C(=N/NC(=O)CC#N)/N)C(=O)C(=O)N3CCN(CC3)C4=NC=CC5=CC=CC=C54
InChI
InChI=1S/C28H26N8O4/c1-40-21-7-6-19(26(30)34-33-22(37)8-10-29)24-23(21)20(16-32-24)25(38)28(39)36-14-12-35(13-15-36)27-18-5-3-2-4-17(18)9-11-31-27/h2-7,9,11,16,32H,8,12-15H2,1H3,(H2,30,34)(H,33,37)
InChIKey
YRQPTBXQAJDLNV-UHFFFAOYSA-N
Compound name
N-[(Z)-[amino-[3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indol-7-yl]methylidene]amino]-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.2077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.21498 226.9
[M+Na]+ 561.19692 230.9
[M-H]- 537.20042 228.5
[M+NH4]+ 556.24152 226.5
[M+K]+ 577.17086 222.9
[M+H-H2O]+ 521.20496 207.8
[M+HCOO]- 583.20590 235.3
[M+CH3COO]- 597.22155 228.6
[M+Na-2H]- 559.18237 225.0
[M]+ 538.20715 218.7
[M]- 538.20825 218.7
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.