CID 135473358

2-ethoxy-6-((e)-{[4-(4-methylphenyl)-1-piperazinyl]imino}methyl)phenol

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CCOC1=CC=CC(=C1O)/C=N\N2CCN(CC2)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H25N3O2/c1-3-25-19-6-4-5-17(20(19)24)15-21-23-13-11-22(12-14-23)18-9-7-16(2)8-10-18/h4-10,15,24H,3,11-14H2,1-2H3/b21-15-
InChIKey
BCYNWCRXOAVCPB-QNGOZBTKSA-N
Compound name
2-ethoxy-6-[(Z)-[4-(4-methylphenyl)piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 184.0
[M+Na]+ 362.18389 189.2
[M-H]- 338.18739 190.2
[M+NH4]+ 357.22849 194.1
[M+K]+ 378.15783 183.9
[M+H-H2O]+ 322.19193 172.7
[M+HCOO]- 384.19287 202.2
[M+CH3COO]- 398.20852 214.5
[M+Na-2H]- 360.16934 185.9
[M]+ 339.19412 182.0
[M]- 339.19522 182.0
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.