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 166.4
[M+Na]+ 300.16824 171.3
[M-H]- 276.17174 171.0
[M+NH4]+ 295.21284 182.1
[M+K]+ 316.14218 168.3
[M+H-H2O]+ 260.17628 158.1
[M+HCOO]- 322.17722 188.0
[M+CH3COO]- 336.19287 204.6
[M+Na-2H]- 298.15369 166.1
[M]+ 277.17847 164.4
[M]- 277.17957 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