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

0
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 183.5
[M+Na]+ 357.21487 188.8
[M-H]- 333.21837 187.3
[M+NH4]+ 352.25947 197.4
[M+K]+ 373.18881 185.0
[M+H-H2O]+ 317.22291 175.7
[M+HCOO]- 379.22385 202.0
[M+CH3COO]- 393.23950 214.3
[M+Na-2H]- 355.20032 179.9
[M]+ 334.22510 185.1
[M]- 334.22620 185.1
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.