CID 54736

81329-70-6

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C21H26N2O2/c1-23-15-5-4-7-18(23)12-9-16-6-2-3-8-20(16)22-21(25)17-10-13-19(24)14-11-17/h2-3,6,8,10-11,13-14,18,24H,4-5,7,9,12,15H2,1H3,(H,22,25)
InChIKey
QMHJFCPHRGVEAF-UHFFFAOYSA-N
Compound name
4-hydroxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

12
Patents

338.19943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.2
[M+Na]+ 361.18865 186.2
[M-H]- 337.19215 188.9
[M+NH4]+ 356.23325 193.6
[M+K]+ 377.16259 180.7
[M+H-H2O]+ 321.19669 173.0
[M+HCOO]- 383.19763 199.9
[M+CH3COO]- 397.21328 212.1
[M+Na-2H]- 359.17410 183.7
[M]+ 338.19888 178.2
[M]- 338.19998 178.2
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.