CID 385236

Nsc676349

Structural Information

Molecular Formula
C11H17ClN4O
SMILES
C1CCC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO
InChI
InChI=1S/C11H17ClN4O/c12-8-5-9(16-10(13)15-8)14-6-11(7-17)3-1-2-4-11/h5,17H,1-4,6-7H2,(H3,13,14,15,16)
InChIKey
NVXDJJNBIHJIJS-UHFFFAOYSA-N
Compound name
[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.1091 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11638 155.5
[M+Na]+ 279.09832 162.6
[M-H]- 255.10182 157.6
[M+NH4]+ 274.14292 172.8
[M+K]+ 295.07226 157.4
[M+H-H2O]+ 239.10636 148.1
[M+HCOO]- 301.10730 171.8
[M+CH3COO]- 315.12295 193.4
[M+Na-2H]- 277.08377 159.5
[M]+ 256.10855 152.7
[M]- 256.10965 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.