CID 460317

N^4-dimethylamino-3'-azido-2',3'-dideoxy-5-methylcytidine

Structural Information

Molecular Formula
C12H19N7O3
SMILES
CC1=CN(C(=O)N=C1NN(C)C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H19N7O3/c1-7-5-19(12(21)14-11(7)16-18(2)3)10-4-8(15-17-13)9(6-20)22-10/h5,8-10,20H,4,6H2,1-3H3,(H,14,16,21)/t8-,9+,10+/m0/s1
InChIKey
OXNNAMHCHHLJRK-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(2,2-dimethylhydrazinyl)-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15494 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16222 169.8
[M+Na]+ 332.14416 175.5
[M-H]- 308.14766 177.8
[M+NH4]+ 327.18876 181.9
[M+K]+ 348.11810 170.2
[M+H-H2O]+ 292.15220 164.2
[M+HCOO]- 354.15314 197.3
[M+CH3COO]- 368.16879 214.2
[M+Na-2H]- 330.12961 176.6
[M]+ 309.15439 168.5
[M]- 309.15549 168.5
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.