CID 385246

Nsc676359

Structural Information

Molecular Formula
C10H16ClN5O
SMILES
C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N)CO
InChI
InChI=1S/C10H16ClN5O/c11-7-6(12)8(16-9(13)15-7)14-4-10(5-17)2-1-3-10/h17H,1-5,12H2,(H3,13,14,15,16)
InChIKey
OTRGPSBNWZQIBZ-UHFFFAOYSA-N
Compound name
[1-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.10434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11162 159.4
[M+Na]+ 280.09356 165.6
[M-H]- 256.09706 161.0
[M+NH4]+ 275.13816 168.1
[M+K]+ 296.06750 163.9
[M+H-H2O]+ 240.10160 146.5
[M+HCOO]- 302.10254 174.9
[M+CH3COO]- 316.11819 201.1
[M+Na-2H]- 278.07901 163.2
[M]+ 257.10379 165.0
[M]- 257.10489 165.0
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.