CID 61278771

3-[(6-chloropyrimidin-4-yl)amino]propanamide

Structural Information

Molecular Formula
C7H9ClN4O
SMILES
C1=C(N=CN=C1Cl)NCCC(=O)N
InChI
InChI=1S/C7H9ClN4O/c8-5-3-7(12-4-11-5)10-2-1-6(9)13/h3-4H,1-2H2,(H2,9,13)(H,10,11,12)
InChIKey
REIFQFOKZOROAE-UHFFFAOYSA-N
Compound name
3-[(6-chloropyrimidin-4-yl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.0465 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05378 140.1
[M+Na]+ 223.03572 148.3
[M-H]- 199.03922 140.6
[M+NH4]+ 218.08032 156.6
[M+K]+ 239.00966 144.6
[M+H-H2O]+ 183.04376 133.0
[M+HCOO]- 245.04470 159.0
[M+CH3COO]- 259.06035 186.8
[M+Na-2H]- 221.02117 146.7
[M]+ 200.04595 140.2
[M]- 200.04705 140.2
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.