CID 135576955

303105-85-3

Structural Information

Molecular Formula
C21H26N4O2
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2)/C3=CC=CC=C3O
InChI
InChI=1S/C21H26N4O2/c1-17(19-9-5-6-10-20(19)26)22-23-21(27)16-25-13-11-24(12-14-25)15-18-7-3-2-4-8-18/h2-10,26H,11-16H2,1H3,(H,23,27)/b22-17+
InChIKey
HORJRNMLGGPFOM-OQKWZONESA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20557 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 188.9
[M+Na]+ 389.19479 190.6
[M-H]- 365.19829 194.3
[M+NH4]+ 384.23939 196.7
[M+K]+ 405.16873 185.7
[M+H-H2O]+ 349.20283 177.2
[M+HCOO]- 411.20377 206.1
[M+CH3COO]- 425.21942 220.6
[M+Na-2H]- 387.18024 190.5
[M]+ 366.20502 183.9
[M]- 366.20612 183.9
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.