CID 55217

Brn 4321907

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCC1=C(C(=C(C=C1)OC)C(=O)NC[C@@H]2CCCN2CC)O
InChI
InChI=1S/C17H26N2O3/c1-4-12-8-9-14(22-3)15(16(12)20)17(21)18-11-13-7-6-10-19(13)5-2/h8-9,13,20H,4-7,10-11H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKey
YMTZSXGHAFKWEQ-ZDUSSCGKSA-N
Compound name
3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 174.7
[M+Na]+ 329.183558 179.9
[M-H]- 305.187064 178.5
[M+NH4]+ 324.228163 189.4
[M+K]+ 345.157498 176.6
[M+H-H2O]+ 289.191600 166.9
[M+HCOO]- 351.192541 193.9
[M+CH3COO]- 365.208191 207.0
[M+Na-2H]- 327.169006 172.8
[M]+ 306.19379142 175.1
[M]- 306.19488858 175.1
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

patents stripe