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 172.7
[M+Na]+ 335.11330 179.6
[M-H]- 311.11680 176.7
[M+NH4]+ 330.15790 188.1
[M+K]+ 351.08724 174.9
[M+H-H2O]+ 295.12134 165.9
[M+HCOO]- 357.12228 188.1
[M+CH3COO]- 371.13793 204.7
[M+Na-2H]- 333.09875 171.4
[M]+ 312.12353 174.5
[M]- 312.12463 174.5
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