CID 3042986

Brn 0661521

Structural Information

Molecular Formula
C12H19N5O
SMILES
CCN1CCCC1CNC(=O)C2=CN=C(N=C2)N
InChI
InChI=1S/C12H19N5O/c1-2-17-5-3-4-10(17)8-14-11(18)9-6-15-12(13)16-7-9/h6-7,10H,2-5,8H2,1H3,(H,14,18)(H2,13,15,16)
InChIKey
XGZLOXNZLNUCOF-UHFFFAOYSA-N
Compound name
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.15897 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16625 158.2
[M+Na]+ 272.14819 167.0
[M+NH4]+ 267.19279 164.0
[M+K]+ 288.12213 164.1
[M-H]- 248.15169 159.8
[M+Na-2H]- 270.13364 162.9
[M]+ 249.15842 159.3
[M]- 249.15952 159.3
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.