CID 501411

1-{[((phosphon)methyl)-aziridin-1-yl]methyl}cytosine

Structural Information

Molecular Formula
C8H13N4O4P
SMILES
C1C(N1CP(=O)(O)O)CN2C=CC(=NC2=O)N
InChI
InChI=1S/C8H13N4O4P/c9-7-1-2-11(8(13)10-7)3-6-4-12(6)5-17(14,15)16/h1-2,6H,3-5H2,(H2,9,10,13)(H2,14,15,16)
InChIKey
QJWWMEARYNUOMI-UHFFFAOYSA-N
Compound name
[2-[(4-amino-2-oxopyrimidin-1-yl)methyl]aziridin-1-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.06744 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07472 165.1
[M+Na]+ 283.05666 175.3
[M-H]- 259.06016 165.2
[M+NH4]+ 278.10126 172.1
[M+K]+ 299.03060 169.9
[M+H-H2O]+ 243.06470 155.2
[M+HCOO]- 305.06564 188.0
[M+CH3COO]- 319.08129 195.2
[M+Na-2H]- 281.04211 166.7
[M]+ 260.06689 167.5
[M]- 260.06799 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.