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]+ 332.116036 177.2
[M+Na]+ 354.097978 184.0
[M-H]- 330.101484 182.3
[M+NH4]+ 349.142583 187.9
[M+K]+ 370.071918 177.1
[M+H-H2O]+ 314.106020 167.3
[M+HCOO]- 376.106961 190.3
[M+CH3COO]- 390.122611 186.3
[M+Na-2H]- 352.083426 179.8
[M]+ 331.10821142 174.7
[M]- 331.10930858 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.