CID 3055413

72412-36-3

Structural Information

Molecular Formula
C13H21N5O2
SMILES
CCN1CCCC1CNC(=O)C2=CN=C(N=C2OC)N
InChI
InChI=1S/C13H21N5O2/c1-3-18-6-4-5-9(18)7-15-11(19)10-8-16-13(14)17-12(10)20-2/h8-9H,3-7H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKey
OJTIYLGSEAWCNT-UHFFFAOYSA-N
Compound name
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16953 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17681 165.8
[M+Na]+ 302.15875 171.5
[M-H]- 278.16225 168.1
[M+NH4]+ 297.20335 178.7
[M+K]+ 318.13269 168.7
[M+H-H2O]+ 262.16679 156.0
[M+HCOO]- 324.16773 185.5
[M+CH3COO]- 338.18338 204.2
[M+Na-2H]- 300.14420 166.6
[M]+ 279.16898 164.2
[M]- 279.17008 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.