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

19
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

literature stripe

Patent stripe

patents stripe