CID 55901

Fla 988 methanesulfonate

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2CC)OC)CC
InChI
InChI=1S/C19H30N2O3/c1-5-13-11-14(6-2)18(24-4)16(17(13)22)19(23)20-12-15-9-8-10-21(15)7-3/h11,15,22H,5-10,12H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKey
CLYMXDQVLPUPJD-HNNXBMFYSA-N
Compound name
3,5-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

334.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 184.3
[M+Na]+ 357.21487 193.3
[M+NH4]+ 352.25947 189.8
[M+K]+ 373.18881 189.4
[M-H]- 333.21837 186.0
[M+Na-2H]- 355.20032 186.6
[M]+ 334.22510 185.7
[M]- 334.22620 185.7
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