CID 385259

Nsc676370

Structural Information

Molecular Formula
C11H17ClN4O2
SMILES
C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)CO)CO
InChI
InChI=1S/C11H17ClN4O2/c12-8-7(4-17)9(16-10(13)15-8)14-5-11(6-18)2-1-3-11/h17-18H,1-6H2,(H3,13,14,15,16)
InChIKey
ZLYIJMADYJWPRM-UHFFFAOYSA-N
Compound name
[2-amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.104 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11128 161.0
[M+Na]+ 295.09322 167.1
[M-H]- 271.09672 161.7
[M+NH4]+ 290.13782 169.0
[M+K]+ 311.06716 165.2
[M+H-H2O]+ 255.10126 148.7
[M+HCOO]- 317.10220 174.7
[M+CH3COO]- 331.11785 199.2
[M+Na-2H]- 293.07867 164.7
[M]+ 272.10345 168.3
[M]- 272.10455 168.3
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