CID 135853840

Brn 4216020

Structural Information

Molecular Formula
C25H26N6O2
SMILES
C1CN(CCN1CC(=O)N/N=C(\C2=CC=CC=C2O)/N=NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H26N6O2/c32-23-14-8-7-13-22(23)25(28-26-20-9-3-1-4-10-20)29-27-24(33)19-30-15-17-31(18-16-30)21-11-5-2-6-12-21/h1-14,32H,15-19H2,(H,27,33)/b28-26?,29-25+
InChIKey
XVLNQEBXGXEOPJ-SIYXLCJLSA-N
Compound name
N-[(E)-[(2-hydroxyphenyl)-phenyldiazenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.21173 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.21901 207.2
[M+Na]+ 465.20095 218.5
[M+NH4]+ 460.24555 212.7
[M+K]+ 481.17489 210.5
[M-H]- 441.20445 216.1
[M+Na-2H]- 463.18640 218.2
[M]+ 442.21118 210.9
[M]- 442.21228 210.9
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.