CID 13887579

N4-aminocytidine

Structural Information

Molecular Formula
C9H14N4O5
SMILES
C1=CN(C(=O)N=C1NN)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H14N4O5/c10-12-5-1-2-13(9(17)11-5)8-7(16)6(15)4(3-14)18-8/h1-2,4,6-8,14-16H,3,10H2,(H,11,12,17)/t4-,6-,7-,8-/m1/s1
InChIKey
RSSRMDMJEZIUJX-XVFCMESISA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydrazinylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

1498
Patents

258.0964 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10368 154.5
[M+Na]+ 281.08562 162.3
[M-H]- 257.08912 156.0
[M+NH4]+ 276.13022 166.5
[M+K]+ 297.05956 160.0
[M+H-H2O]+ 241.09366 146.9
[M+HCOO]- 303.09460 172.8
[M+CH3COO]- 317.11025 192.4
[M+Na-2H]- 279.07107 156.6
[M]+ 258.09585 151.9
[M]- 258.09695 151.9
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

patents stripe