CID 385213

Nsc676326

Structural Information

Molecular Formula
C9H16ClN5O
SMILES
CC(C)(CNC1=C(C(=NC(=N1)N)Cl)N)CO
InChI
InChI=1S/C9H16ClN5O/c1-9(2,4-16)3-13-7-5(11)6(10)14-8(12)15-7/h16H,3-4,11H2,1-2H3,(H3,12,13,14,15)
InChIKey
GIOGNUNOQMYYEI-UHFFFAOYSA-N
Compound name
3-[(2,5-diamino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11162 156.8
[M+Na]+ 268.09356 165.1
[M-H]- 244.09706 156.2
[M+NH4]+ 263.13816 171.0
[M+K]+ 284.06750 160.4
[M+H-H2O]+ 228.10160 150.3
[M+HCOO]- 290.10254 173.1
[M+CH3COO]- 304.11819 198.0
[M+Na-2H]- 266.07901 161.4
[M]+ 245.10379 155.5
[M]- 245.10489 155.5
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.