CID 254413

Nsc78779

Structural Information

Molecular Formula
C9H14ClN5O
SMILES
CCN(CC)C1=NC(=NC(=C1N)C(=O)N)Cl
InChI
InChI=1S/C9H14ClN5O/c1-3-15(4-2)8-5(11)6(7(12)16)13-9(10)14-8/h3-4,11H2,1-2H3,(H2,12,16)
InChIKey
IEMFMPABQHDXGY-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-6-(diethylamino)pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08868 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09596 154.7
[M+Na]+ 266.07790 163.3
[M-H]- 242.08140 156.8
[M+NH4]+ 261.12250 170.2
[M+K]+ 282.05184 160.2
[M+H-H2O]+ 226.08594 147.3
[M+HCOO]- 288.08688 173.9
[M+CH3COO]- 302.10253 203.2
[M+Na-2H]- 264.06335 157.3
[M]+ 243.08813 155.9
[M]- 243.08923 155.9
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.