CID 385253

Nsc676364

Structural Information

Molecular Formula
C11H18ClN5O
SMILES
C1CCC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N)CO
InChI
InChI=1S/C11H18ClN5O/c12-8-7(13)9(17-10(14)16-8)15-5-11(6-18)3-1-2-4-11/h18H,1-6,13H2,(H3,14,15,16,17)
InChIKey
WBFFONKDNAWDEI-UHFFFAOYSA-N
Compound name
[1-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12728 158.8
[M+Na]+ 294.10922 165.9
[M-H]- 270.11272 160.8
[M+NH4]+ 289.15382 175.2
[M+K]+ 310.08316 160.6
[M+H-H2O]+ 254.11726 151.6
[M+HCOO]- 316.11820 175.5
[M+CH3COO]- 330.13385 199.4
[M+Na-2H]- 292.09467 161.7
[M]+ 271.11945 154.8
[M]- 271.12055 154.8
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.