CID 135537776

81820-06-6

Structural Information

Molecular Formula
C24H28N6O4
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)N=NC2=C(N(C3=CC=CC=C32)CN4CCN(CC4)C)O
InChI
InChI=1S/C24H28N6O4/c1-17(31)25-18-7-9-19(10-8-18)34-15-22(32)26-27-23-20-5-3-4-6-21(20)30(24(23)33)16-29-13-11-28(2)12-14-29/h3-10,33H,11-16H2,1-2H3,(H,25,31)
InChIKey
CIDNKNLKFCKLTP-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.2172 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.22448 209.2
[M+Na]+ 487.20642 213.4
[M-H]- 463.20992 217.2
[M+NH4]+ 482.25102 215.3
[M+K]+ 503.18036 209.3
[M+H-H2O]+ 447.21446 196.9
[M+HCOO]- 509.21540 228.8
[M+CH3COO]- 523.23105 243.9
[M+Na-2H]- 485.19187 210.3
[M]+ 464.21665 211.1
[M]- 464.21775 211.1
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.