CID 135519156

(e)-2-(((4-benzhydrylpiperazin-1-yl)imino)methyl)-6-ethoxyphenol

Structural Information

Molecular Formula
C26H29N3O2
SMILES
CCOC1=CC=CC(=C1O)/C=N/N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H29N3O2/c1-2-31-24-15-9-14-23(26(24)30)20-27-29-18-16-28(17-19-29)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,20,25,30H,2,16-19H2,1H3/b27-20+
InChIKey
QEGSDYJHBDLGKO-NHFJDJAPSA-N
Compound name
2-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]-6-ethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.22598 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.233256 203.4
[M+Na]+ 438.215198 205.6
[M-H]- 414.218704 211.4
[M+NH4]+ 433.259803 209.0
[M+K]+ 454.189138 199.0
[M+H-H2O]+ 398.223240 189.8
[M+HCOO]- 460.224181 219.4
[M+CH3COO]- 474.239831 209.8
[M+Na-2H]- 436.200646 204.2
[M]+ 415.22543142 199.3
[M]- 415.22652858 199.3
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.