CID 385207

Nsc676320

Structural Information

Molecular Formula
C10H15ClN4O
SMILES
C1CC(C1)(CNC2=C(C(=NC=N2)Cl)N)CO
InChI
InChI=1S/C10H15ClN4O/c11-8-7(12)9(15-6-14-8)13-4-10(5-16)2-1-3-10/h6,16H,1-5,12H2,(H,13,14,15)
InChIKey
XGUNUSBYGULJRK-UHFFFAOYSA-N
Compound name
[1-[[(5-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10072 152.5
[M+Na]+ 265.08266 159.0
[M-H]- 241.08616 154.4
[M+NH4]+ 260.12726 162.3
[M+K]+ 281.05660 157.4
[M+H-H2O]+ 225.09070 140.1
[M+HCOO]- 287.09164 167.9
[M+CH3COO]- 301.10729 195.3
[M+Na-2H]- 263.06811 158.0
[M]+ 242.09289 159.5
[M]- 242.09399 159.5
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.