CID 3076127

5-amino-n-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide ethanedioate (2:3)

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)N)OC
InChI
InChI=1S/C15H23N3O2/c1-3-18-8-4-5-12(18)10-17-15(19)13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10,16H2,1-2H3,(H,17,19)
InChIKey
FKLZXOIYBRAZIN-UHFFFAOYSA-N
Compound name
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

277.17902 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.186296 166.4
[M+Na]+ 300.168238 171.3
[M-H]- 276.171744 171.0
[M+NH4]+ 295.212843 182.1
[M+K]+ 316.142178 168.3
[M+H-H2O]+ 260.176280 158.1
[M+HCOO]- 322.177221 188.0
[M+CH3COO]- 336.192871 204.6
[M+Na-2H]- 298.153686 166.1
[M]+ 277.17847142 164.4
[M]- 277.17956858 164.4
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