CID 385248

Nsc676361

Structural Information

Molecular Formula
C10H16ClN5O2
SMILES
C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)O
InChI
InChI=1S/C10H16ClN5O2/c11-7-6(12)8(16-9(13)15-7)14-3-10(4-17)1-5(18)2-10/h5,17-18H,1-4,12H2,(H3,13,14,15,16)
InChIKey
XXPJAWHCORDZMI-UHFFFAOYSA-N
Compound name
3-[[(2,5-diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(hydroxymethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09924 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10652 163.6
[M+Na]+ 296.08846 169.9
[M-H]- 272.09196 164.2
[M+NH4]+ 291.13306 171.1
[M+K]+ 312.06240 168.1
[M+H-H2O]+ 256.09650 151.0
[M+HCOO]- 318.09744 177.7
[M+CH3COO]- 332.11309 202.5
[M+Na-2H]- 294.07391 166.1
[M]+ 273.09869 169.1
[M]- 273.09979 169.1
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.