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 203.2
[M+Na]+ 465.20095 203.6
[M-H]- 441.20445 213.8
[M+NH4]+ 460.24555 207.7
[M+K]+ 481.17489 198.7
[M+H-H2O]+ 425.20899 188.8
[M+HCOO]- 487.20993 225.1
[M+CH3COO]- 501.22558 241.4
[M+Na-2H]- 463.18640 207.8
[M]+ 442.21118 198.2
[M]- 442.21228 198.2
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.