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

8
Patents

277.17902 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 167.3
[M+Na]+ 300.16824 175.8
[M+NH4]+ 295.21284 173.7
[M+K]+ 316.14218 172.3
[M-H]- 276.17174 170.1
[M+Na-2H]- 298.15369 171.4
[M]+ 277.17847 168.8
[M]- 277.17957 168.8
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