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]+ 443.219006 203.2
[M+Na]+ 465.200948 203.6
[M-H]- 441.204454 213.8
[M+NH4]+ 460.245553 207.7
[M+K]+ 481.174888 198.7
[M+H-H2O]+ 425.208990 188.8
[M+HCOO]- 487.209931 225.1
[M+CH3COO]- 501.225581 241.4
[M+Na-2H]- 463.186396 207.8
[M]+ 442.21118142 198.2
[M]- 442.21227858 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.