CID 135853841

Brn 4217284

Structural Information

Molecular Formula
C26H28N6O2
SMILES
CC1=CC=CC=C1N=N/C(=N/NC(=O)CN2CCN(CC2)C3=CC=CC=C3)/C4=CC=CC=C4O
InChI
InChI=1S/C26H28N6O2/c1-20-9-5-7-13-23(20)27-29-26(22-12-6-8-14-24(22)33)30-28-25(34)19-31-15-17-32(18-16-31)21-10-3-2-4-11-21/h2-14,33H,15-19H2,1H3,(H,28,34)/b29-27?,30-26+
InChIKey
RLQYVRLLYQBFFL-LIIRDZCQSA-N
Compound name
N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2274 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.23468 211.9
[M+Na]+ 479.21662 223.4
[M+NH4]+ 474.26122 217.2
[M+K]+ 495.19056 215.3
[M-H]- 455.22012 220.8
[M+Na-2H]- 477.20207 222.4
[M]+ 456.22685 215.7
[M]- 456.22795 215.7
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.