CID 135492287

Mls001203442

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]+ 296.17574 171.1
[M+Na]+ 318.15768 175.1
[M-H]- 294.16118 176.9
[M+NH4]+ 313.20228 182.4
[M+K]+ 334.13162 170.1
[M+H-H2O]+ 278.16572 160.1
[M+HCOO]- 340.16666 188.8
[M+CH3COO]- 354.18231 180.2
[M+Na-2H]- 316.14313 174.4
[M]+ 295.16791 165.6
[M]- 295.16901 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.