CID 6473806

E5-styryl-azddu

Structural Information

Molecular Formula
C17H17N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C3=CC=CC=C3)CO)N=[N+]=[N-]
InChI
InChI=1S/C17H17N5O4/c18-21-20-13-8-15(26-14(13)10-23)22-9-12(16(24)19-17(22)25)7-6-11-4-2-1-3-5-11/h1-7,9,13-15,23H,8,10H2,(H,19,24,25)/b7-6+/t13-,14+,15+/m0/s1
InChIKey
JXIDKEQASZZESZ-XIKIYNFVSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.12805 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13533 182.1
[M+Na]+ 378.11727 188.3
[M-H]- 354.12077 190.3
[M+NH4]+ 373.16187 190.9
[M+K]+ 394.09121 178.4
[M+H-H2O]+ 338.12531 176.0
[M+HCOO]- 400.12625 205.8
[M+CH3COO]- 414.14190 209.3
[M+Na-2H]- 376.10272 187.7
[M]+ 355.12750 178.3
[M]- 355.12860 178.3
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.