CID 3050045

N-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxynicotinamide

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CN=C2)OC
InChI
InChI=1S/C14H21N3O2/c1-3-17-8-4-5-11(17)9-16-14(18)12-10-15-7-6-13(12)19-2/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKey
KRSHPMAEURCNRM-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.1634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 162.4
[M+Na]+ 286.15262 167.7
[M-H]- 262.15612 165.9
[M+NH4]+ 281.19722 177.6
[M+K]+ 302.12656 165.1
[M+H-H2O]+ 246.16066 153.3
[M+HCOO]- 308.16160 182.7
[M+CH3COO]- 322.17725 198.5
[M+Na-2H]- 284.13807 163.8
[M]+ 263.16285 161.9
[M]- 263.16395 161.9
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