CID 193099

Setazindol

Structural Information

Molecular Formula
C15H16ClNO
SMILES
CNCC1=CC=CC=C1C(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C15H16ClNO/c1-17-10-12-4-2-3-5-14(12)15(18)11-6-8-13(16)9-7-11/h2-9,15,17-18H,10H2,1H3
InChIKey
GMQRLEHODLAXAW-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[2-(methylaminomethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

196
Patents

261.09204 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09932 158.5
[M+Na]+ 284.08126 165.8
[M-H]- 260.08476 163.8
[M+NH4]+ 279.12586 175.2
[M+K]+ 300.05520 159.9
[M+H-H2O]+ 244.08930 152.1
[M+HCOO]- 306.09024 176.8
[M+CH3COO]- 320.10589 196.2
[M+Na-2H]- 282.06671 162.8
[M]+ 261.09149 159.3
[M]- 261.09259 159.3
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.