CID 206338

Brn 0838252

Structural Information

Molecular Formula
C20H23N3O2
SMILES
C1CN(CCN1CC(COC2=CC=CC(=C2)C#N)O)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O2/c21-14-17-5-4-8-20(13-17)25-16-19(24)15-22-9-11-23(12-10-22)18-6-2-1-3-7-18/h1-8,13,19,24H,9-12,15-16H2
InChIKey
NHTKUUPIBILRBL-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 180.0
[M+Na]+ 360.16824 185.6
[M-H]- 336.17174 182.0
[M+NH4]+ 355.21284 187.6
[M+K]+ 376.14218 178.3
[M+H-H2O]+ 320.17628 162.6
[M+HCOO]- 382.17722 191.3
[M+CH3COO]- 396.19287 186.3
[M+Na-2H]- 358.15369 181.0
[M]+ 337.17847 170.9
[M]- 337.17957 170.9
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.