CID 453822

3'-guanidino-3'-deoxythymidine

Structural Information

Molecular Formula
C11H17N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=C(N)N
InChI
InChI=1S/C11H17N5O4/c1-5-3-16(11(19)15-9(5)18)8-2-6(14-10(12)13)7(4-17)20-8/h3,6-8,17H,2,4H2,1H3,(H4,12,13,14)(H,15,18,19)/t6-,7+,8+/m0/s1
InChIKey
JSPFQLKDJXHRDP-XLPZGREQSA-N
Compound name
2-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12805 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13533 164.1
[M+Na]+ 306.11727 171.5
[M-H]- 282.12077 167.7
[M+NH4]+ 301.16187 175.9
[M+K]+ 322.09121 168.9
[M+H-H2O]+ 266.12531 155.7
[M+HCOO]- 328.12625 184.3
[M+CH3COO]- 342.14190 204.4
[M+Na-2H]- 304.10272 164.1
[M]+ 283.12750 160.6
[M]- 283.12860 160.6
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.