CID 5276290

2-hydroxy-n-(isopropyl[?]yl)-5-methyl-benzamide

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CC1=CC(=C(C=C1)O)C(=O)N[C@@H]2CCC34CCC3N(C4C2)C(C)C
InChI
InChI=1S/C20H28N2O2/c1-12(2)22-17-7-9-20(17)8-6-14(11-18(20)22)21-19(24)15-10-13(3)4-5-16(15)23/h4-5,10,12,14,17-18,23H,6-9,11H2,1-3H3,(H,21,24)/t14-,17?,18?,20?/m1/s1
InChIKey
VEHAPCASTITFNV-YDAHYDFVSA-N
Compound name
2-hydroxy-5-methyl-N-[(8R)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 183.9
[M+Na]+ 351.20432 185.4
[M-H]- 327.20782 188.3
[M+NH4]+ 346.24892 186.0
[M+K]+ 367.17826 188.0
[M+H-H2O]+ 311.21236 166.5
[M+HCOO]- 373.21330 193.8
[M+CH3COO]- 387.22895 222.8
[M+Na-2H]- 349.18977 182.3
[M]+ 328.21455 197.0
[M]- 328.21565 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.