CID 135492287

(e)-2-(1-((4-phenylpiperazin-1-yl)imino)ethyl)phenol

Structural Information

Molecular Formula
C18H21N3O
SMILES
C/C(=N\N1CCN(CC1)C2=CC=CC=C2)/C3=CC=CC=C3O
InChI
InChI=1S/C18H21N3O/c1-15(17-9-5-6-10-18(17)22)19-21-13-11-20(12-14-21)16-7-3-2-4-8-16/h2-10,22H,11-14H2,1H3/b19-15+
InChIKey
VGPNSVINCKOLHJ-XDJHFCHBSA-N
Compound name
2-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

295.16846 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.175736 171.1
[M+Na]+ 318.157678 175.1
[M-H]- 294.161184 176.9
[M+NH4]+ 313.202283 182.4
[M+K]+ 334.131618 170.1
[M+H-H2O]+ 278.165720 160.1
[M+HCOO]- 340.166661 188.8
[M+CH3COO]- 354.182311 180.2
[M+Na-2H]- 316.143126 174.4
[M]+ 295.16791142 165.6
[M]- 295.16900858 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.