CID 9571515

Nsc676324

Structural Information

Molecular Formula
C10H16ClN5O2
SMILES
CC(C)(CNC1=C(C(=NC(=N1)N)Cl)/C=N/O)CO
InChI
InChI=1S/C10H16ClN5O2/c1-10(2,5-17)4-13-8-6(3-14-18)7(11)15-9(12)16-8/h3,17-18H,4-5H2,1-2H3,(H3,12,13,15,16)/b14-3+
InChIKey
FBGUPTDFHQQDPB-LZWSPWQCSA-N
Compound name
3-[[2-amino-6-chloro-5-[(E)-hydroxyiminomethyl]pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10652 162.7
[M+Na]+ 296.08846 170.7
[M-H]- 272.09196 162.4
[M+NH4]+ 291.13306 175.9
[M+K]+ 312.06240 166.1
[M+H-H2O]+ 256.09650 155.8
[M+HCOO]- 318.09744 179.6
[M+CH3COO]- 332.11309 202.3
[M+Na-2H]- 294.07391 168.0
[M]+ 273.09869 163.4
[M]- 273.09979 163.4
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.