CID 451457

3'-azido-2',3'-dideoxy-n4-oh-5-methylcytidine

Structural Information

Molecular Formula
C10H14N6O4
SMILES
CC1=CN(C(=O)N=C1NO)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H14N6O4/c1-5-3-16(10(18)12-9(5)14-19)8-2-6(13-15-11)7(4-17)20-8/h3,6-8,17,19H,2,4H2,1H3,(H,12,14,18)/t6-,7+,8+/m0/s1
InChIKey
UALCCFUZBGNAPH-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

282.10767 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 159.3
[M+Na]+ 305.09689 166.1
[M-H]- 281.10039 165.0
[M+NH4]+ 300.14149 171.4
[M+K]+ 321.07083 159.4
[M+H-H2O]+ 265.10493 154.8
[M+HCOO]- 327.10587 184.8
[M+CH3COO]- 341.12152 199.6
[M+Na-2H]- 303.08234 167.1
[M]+ 282.10712 156.4
[M]- 282.10822 156.4
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.