CID 206735

28626-35-9

Structural Information

Molecular Formula
C15H21ClN2O3
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)O)Cl
InChI
InChI=1S/C15H21ClN2O3/c1-3-18-6-4-5-10(18)9-17-15(20)11-7-12(16)13(19)8-14(11)21-2/h7-8,10,19H,3-6,9H2,1-2H3,(H,17,20)
InChIKey
KOWANBRZFLSWFZ-UHFFFAOYSA-N
Compound name
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.12408 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13136 171.8
[M+Na]+ 335.11330 182.1
[M+NH4]+ 330.15790 178.2
[M+K]+ 351.08724 178.1
[M-H]- 311.11680 173.6
[M+Na-2H]- 333.09875 175.5
[M]+ 312.12353 173.7
[M]- 312.12463 173.7
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

patents stripe