CID 460318

N^4-phenylamino-5-methyl-3'-azido-2',3'-dideoxycytidine

Structural Information

Molecular Formula
C16H19N7O3
SMILES
CC1=CN(C(=O)N=C1NNC2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C16H19N7O3/c1-10-8-23(14-7-12(20-22-17)13(9-24)26-14)16(25)18-15(10)21-19-11-5-3-2-4-6-11/h2-6,8,12-14,19,24H,7,9H2,1H3,(H,18,21,25)/t12-,13+,14+/m0/s1
InChIKey
MQBDPHOBGREPHM-BFHYXJOUSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-(2-phenylhydrazinyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15494 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16222 179.5
[M+Na]+ 380.14416 184.3
[M-H]- 356.14766 189.1
[M+NH4]+ 375.18876 188.3
[M+K]+ 396.11810 176.1
[M+H-H2O]+ 340.15220 172.6
[M+HCOO]- 402.15314 206.5
[M+CH3COO]- 416.16879 219.1
[M+Na-2H]- 378.12961 187.7
[M]+ 357.15439 176.1
[M]- 357.15549 176.1
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.