CID 135537781

81820-11-3

Structural Information

Molecular Formula
C30H32N6O4
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC=C(C=C3)NC(=O)C)O)CN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C30H32N6O4/c1-21-8-13-27-26(18-21)29(33-32-28(38)19-40-25-11-9-23(10-12-25)31-22(2)37)30(39)36(27)20-34-14-16-35(17-15-34)24-6-4-3-5-7-24/h3-13,18,39H,14-17,19-20H2,1-2H3,(H,31,37)
InChIKey
UOHHIPPXDULTTL-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenoxy)-N-[2-hydroxy-5-methyl-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-yl]iminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.2485 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.25578 228.7
[M+Na]+ 563.23772 231.9
[M-H]- 539.24122 239.4
[M+NH4]+ 558.28232 231.0
[M+K]+ 579.21166 226.6
[M+H-H2O]+ 523.24576 214.7
[M+HCOO]- 585.24670 247.0
[M+CH3COO]- 599.26235 234.3
[M+Na-2H]- 561.22317 228.5
[M]+ 540.24795 230.1
[M]- 540.24905 230.1
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.