CID 385210

Nsc676323

Structural Information

Molecular Formula
C10H15ClN4O2
SMILES
CC(C)(CNC1=C(C(=NC(=N1)N)Cl)C=O)CO
InChI
InChI=1S/C10H15ClN4O2/c1-10(2,5-17)4-13-8-6(3-16)7(11)14-9(12)15-8/h3,17H,4-5H2,1-2H3,(H3,12,13,14,15)
InChIKey
NARYPTCODVBNJC-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-6-[(3-hydroxy-2,2-dimethylpropyl)amino]pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.08835 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09563 158.6
[M+Na]+ 281.07757 167.4
[M-H]- 257.08107 158.3
[M+NH4]+ 276.12217 172.7
[M+K]+ 297.05151 162.7
[M+H-H2O]+ 241.08561 152.0
[M+HCOO]- 303.08655 174.5
[M+CH3COO]- 317.10220 197.5
[M+Na-2H]- 279.06302 163.5
[M]+ 258.08780 160.1
[M]- 258.08890 160.1
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.