CID 135519107

305352-23-2

Structural Information

Molecular Formula
C17H18ClN3O2
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)/N=C/C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C17H18ClN3O2/c18-14-2-4-15(5-3-14)20-7-9-21(10-8-20)19-12-13-1-6-16(22)11-17(13)23/h1-6,11-12,22-23H,7-10H2/b19-12+
InChIKey
MBKIYLIWUOTXNT-XDHOZWIPSA-N
Compound name
4-[(E)-[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.10876 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11604 177.2
[M+Na]+ 354.09798 184.0
[M-H]- 330.10148 182.3
[M+NH4]+ 349.14258 187.9
[M+K]+ 370.07192 177.1
[M+H-H2O]+ 314.10602 167.3
[M+HCOO]- 376.10696 190.3
[M+CH3COO]- 390.12261 186.3
[M+Na-2H]- 352.08343 179.8
[M]+ 331.10821 174.7
[M]- 331.10931 174.7
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.