CID 5276291

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

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCC(C)N1C2CCC23C1C[C@@H](CC3)NC(=O)C4=C(C=CC(=C4)C)O
InChI
InChI=1S/C21H30N2O2/c1-4-14(3)23-18-8-10-21(18)9-7-15(12-19(21)23)22-20(25)16-11-13(2)5-6-17(16)24/h5-6,11,14-15,18-19,24H,4,7-10,12H2,1-3H3,(H,22,25)/t14?,15-,18?,19?,21?/m1/s1
InChIKey
MZDIMRLGNILTPC-ZPENPQMVSA-N
Compound name
N-[(8R)-5-butan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]-2-hydroxy-5-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 188.2
[M+Na]+ 365.21996 189.3
[M-H]- 341.22346 192.5
[M+NH4]+ 360.26456 189.8
[M+K]+ 381.19390 191.8
[M+H-H2O]+ 325.22800 170.7
[M+HCOO]- 387.22894 197.8
[M+CH3COO]- 401.24459 225.4
[M+Na-2H]- 363.20541 186.1
[M]+ 342.23019 201.6
[M]- 342.23129 201.6
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.