CID 452994

5'-ph azt deriv.

Structural Information

Molecular Formula
C16H17N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C(O2)[C@H](C3=CC=CC=C3)O)N=[N+]=[N-]
InChI
InChI=1S/C16H17N5O4/c1-9-8-21(16(24)18-15(9)23)12-7-11(19-20-17)14(25-12)13(22)10-5-3-2-4-6-10/h2-6,8,11-14,22H,7H2,1H3,(H,18,23,24)/t11-,12+,13-,14?/m0/s1
InChIKey
BFDSITLGIDPQSL-WJLOJVBCSA-N
Compound name
1-[(2R,4S)-4-azido-5-[(S)-hydroxy(phenyl)methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.12805 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13533 177.8
[M+Na]+ 366.11727 183.8
[M-H]- 342.12077 186.4
[M+NH4]+ 361.16187 187.1
[M+K]+ 382.09121 175.4
[M+H-H2O]+ 326.12531 172.1
[M+HCOO]- 388.12625 200.8
[M+CH3COO]- 402.14190 208.6
[M+Na-2H]- 364.10272 183.0
[M]+ 343.12750 174.0
[M]- 343.12860 174.0
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.