CID 135599784

Brn 4217195

Structural Information

Molecular Formula
C25H25ClN6O2
SMILES
C1CN(CCN1CC(=O)N/N=C(/C2=CC=CC=C2O)\N=NC3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H25ClN6O2/c26-19-10-12-20(13-11-19)27-29-25(22-8-4-5-9-23(22)33)30-28-24(34)18-31-14-16-32(17-15-31)21-6-2-1-3-7-21/h1-13,33H,14-18H2,(H,28,34)/b29-27?,30-25-
InChIKey
WGLOJSCUJOKBQA-FTGRWOICSA-N
Compound name
N-[(Z)-[[(4-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.17276 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.18004 213.9
[M+Na]+ 499.16198 226.5
[M+NH4]+ 494.20658 219.8
[M+K]+ 515.13592 217.7
[M-H]- 475.16548 223.0
[M+Na-2H]- 497.14743 224.7
[M]+ 476.17221 218.3
[M]- 476.17331 218.3
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.