CID 43384249

5-(4-cyclopropanecarbonylpiperazin-1-yl)pyridin-2-amine

Structural Information

Molecular Formula
C13H18N4O
SMILES
C1CC1C(=O)N2CCN(CC2)C3=CN=C(C=C3)N
InChI
InChI=1S/C13H18N4O/c14-12-4-3-11(9-15-12)16-5-7-17(8-6-16)13(18)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H2,14,15)
InChIKey
BTDRPGXJTBQMLF-UHFFFAOYSA-N
Compound name
[4-(6-aminopyridin-3-yl)piperazin-1-yl]-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.14806 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 164.8
[M+Na]+ 269.13728 171.9
[M-H]- 245.14078 169.9
[M+NH4]+ 264.18188 172.5
[M+K]+ 285.11122 166.8
[M+H-H2O]+ 229.14532 154.8
[M+HCOO]- 291.14626 181.9
[M+CH3COO]- 305.16191 174.0
[M+Na-2H]- 267.12273 167.1
[M]+ 246.14751 161.0
[M]- 246.14861 161.0
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