CID 460321

N^4-amino-n^4-methyl-3'-azido-2',3'-dideoxy-5-methylcytidine

Structural Information

Molecular Formula
C11H17N7O3
SMILES
CC1=CN(C(=O)N=C1N(C)N)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H17N7O3/c1-6-4-18(11(20)14-10(6)17(2)13)9-3-7(15-16-12)8(5-19)21-9/h4,7-9,19H,3,5,13H2,1-2H3/t7-,8+,9+/m0/s1
InChIKey
UKFUMEYGOUWOBY-DJLDLDEBSA-N
Compound name
4-[amino(methyl)amino]-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13928 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14656 165.2
[M+Na]+ 318.12850 171.5
[M-H]- 294.13200 173.0
[M+NH4]+ 313.17310 177.6
[M+K]+ 334.10244 166.0
[M+H-H2O]+ 278.13654 159.9
[M+HCOO]- 340.13748 192.5
[M+CH3COO]- 354.15313 210.6
[M+Na-2H]- 316.11395 171.6
[M]+ 295.13873 162.7
[M]- 295.13983 162.7
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.