CID 385293

Nsc676405

Structural Information

Molecular Formula
C14H24ClN4O4P
SMILES
CCOP(=O)(CC1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)O)OCC
InChI
InChI=1S/C14H24ClN4O4P/c1-3-22-24(21,23-4-2)8-10-6-14(20,7-10)9-17-12-5-11(15)18-13(16)19-12/h5,10,20H,3-4,6-9H2,1-2H3,(H3,16,17,18,19)
InChIKey
MUNNQJHPDKYJBH-UHFFFAOYSA-N
Compound name
1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(diethoxyphosphorylmethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12238 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12966 186.6
[M+Na]+ 401.11160 190.8
[M-H]- 377.11510 187.1
[M+NH4]+ 396.15620 191.3
[M+K]+ 417.08554 190.7
[M+H-H2O]+ 361.11964 171.3
[M+HCOO]- 423.12058 204.4
[M+CH3COO]- 437.13623 220.9
[M+Na-2H]- 399.09705 187.2
[M]+ 378.12183 199.0
[M]- 378.12293 199.0
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.