CID 135537784

81820-14-6

Structural Information

Molecular Formula
C24H27ClN6O4
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(=O)N=NC2=C(N(C3=C2C=C(C=C3)Cl)CN4CCN(CC4)C)O
InChI
InChI=1S/C24H27ClN6O4/c1-16(32)26-18-4-6-19(7-5-18)35-14-22(33)27-28-23-20-13-17(25)3-8-21(20)31(24(23)34)15-30-11-9-29(2)10-12-30/h3-8,13,34H,9-12,14-15H2,1-2H3,(H,26,32)
InChIKey
OXNPOHGDWMIIKG-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenoxy)-N-[5-chloro-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

498.17822 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.18550 217.6
[M+Na]+ 521.16744 223.4
[M-H]- 497.17094 225.7
[M+NH4]+ 516.21204 223.6
[M+K]+ 537.14138 218.2
[M+H-H2O]+ 481.17548 205.8
[M+HCOO]- 543.17642 232.6
[M+CH3COO]- 557.19207 248.5
[M+Na-2H]- 519.15289 217.3
[M]+ 498.17767 222.3
[M]- 498.17877 222.3
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.