CID 16072287

5'-methyl-3'-azido thymidine

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C(C)O)N=[N+]=[N-]
InChI
InChI=1S/C11H15N5O4/c1-5-4-16(11(19)13-10(5)18)8-3-7(14-15-12)9(20-8)6(2)17/h4,6-9,17H,3H2,1-2H3,(H,13,18,19)/t6?,7-,8+,9+/m0/s1
InChIKey
LDOLZPLGBOMIJY-GSLILNRNSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(1-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

281.1124 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.3
[M+Na]+ 304.10162 168.6
[M-H]- 280.10512 167.0
[M+NH4]+ 299.14622 173.8
[M+K]+ 320.07556 161.7
[M+H-H2O]+ 264.10966 157.4
[M+HCOO]- 326.11060 184.7
[M+CH3COO]- 340.12625 197.3
[M+Na-2H]- 302.08707 166.7
[M]+ 281.11185 158.2
[M]- 281.11295 158.2
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

patents stripe