CID 3069097

84332-04-7

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CCN1CCCC1CNC(=O)C2=CN=C(C=C2OC)N
InChI
InChI=1S/C14H22N4O2/c1-3-18-6-4-5-10(18)8-17-14(19)11-9-16-13(15)7-12(11)20-2/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16)(H,17,19)
InChIKey
OQQHVUURQRSFJD-UHFFFAOYSA-N
Compound name
6-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1743 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18158 166.0
[M+Na]+ 301.16352 171.3
[M-H]- 277.16702 169.4
[M+NH4]+ 296.20812 180.3
[M+K]+ 317.13746 168.4
[M+H-H2O]+ 261.17156 156.9
[M+HCOO]- 323.17250 186.7
[M+CH3COO]- 337.18815 204.3
[M+Na-2H]- 299.14897 166.3
[M]+ 278.17375 164.2
[M]- 278.17485 164.2
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

No patent data available for this compound.