CID 385221

Nsc676334

Structural Information

Molecular Formula
C9H12Cl2N4O
SMILES
C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)Cl)O
InChI
InChI=1S/C9H12Cl2N4O/c10-5-6(11)14-8(12)15-7(5)13-4-9(16)2-1-3-9/h16H,1-4H2,(H3,12,13,14,15)
InChIKey
WDHIUEKWKZWEJB-UHFFFAOYSA-N
Compound name
1-[[(2-amino-5,6-dichloropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.03882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04610 151.1
[M+Na]+ 285.02804 159.3
[M-H]- 261.03154 152.6
[M+NH4]+ 280.07264 160.9
[M+K]+ 301.00198 156.5
[M+H-H2O]+ 245.03608 140.0
[M+HCOO]- 307.03702 161.9
[M+CH3COO]- 321.05267 197.9
[M+Na-2H]- 283.01349 155.9
[M]+ 262.03827 159.0
[M]- 262.03937 159.0
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

No patent data available for this compound.