CID 460320

N^4-amino-n^4-methyl-3'-azido-2',3'-dideoxycytidine

Structural Information

Molecular Formula
C10H15N7O3
SMILES
CN(C1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])N
InChI
InChI=1S/C10H15N7O3/c1-16(12)8-2-3-17(10(19)13-8)9-4-6(14-15-11)7(5-18)20-9/h2-3,6-7,9,18H,4-5,12H2,1H3/t6-,7+,9+/m0/s1
InChIKey
ZIZBBOKFSFTUDE-LKEWCRSYSA-N
Compound name
4-[amino(methyl)amino]-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12363 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13091 159.4
[M+Na]+ 304.11285 165.1
[M-H]- 280.11635 166.9
[M+NH4]+ 299.15745 172.0
[M+K]+ 320.08679 159.9
[M+H-H2O]+ 264.12089 153.9
[M+HCOO]- 326.12183 187.0
[M+CH3COO]- 340.13748 206.4
[M+Na-2H]- 302.09830 167.0
[M]+ 281.12308 156.1
[M]- 281.12418 156.1
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.