CID 146934

Flb 524 hydrochloride

Structural Information

Molecular Formula
C16H23ClN2O3
SMILES
CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2C)OC)Cl
InChI
InChI=1S/C16H23ClN2O3/c1-4-10-8-12(17)15(22-3)13(14(10)20)16(21)18-9-11-6-5-7-19(11)2/h8,11,20H,4-7,9H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKey
IXOSSOHCZHBKDJ-NSHDSACASA-N
Compound name
5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

326.1397 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14698 177.2
[M+Na]+ 349.12892 184.6
[M-H]- 325.13242 181.4
[M+NH4]+ 344.17352 192.3
[M+K]+ 365.10286 179.7
[M+H-H2O]+ 309.13696 170.5
[M+HCOO]- 371.13790 192.2
[M+CH3COO]- 385.15355 208.9
[M+Na-2H]- 347.11437 174.7
[M]+ 326.13915 179.8
[M]- 326.14025 179.8
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