CID 139092512

Nucleosides

Structural Information

Molecular Formula
C21H19N3O3
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(N=N2)C3=CC4=CC=CC=C4C5=CC=CC=C53)CO)O
InChI
InChI=1S/C21H19N3O3/c25-12-20-19(26)10-21(27-20)24-11-18(22-23-24)17-9-13-5-1-2-6-14(13)15-7-3-4-8-16(15)17/h1-9,11,19-21,25-26H,10,12H2/t19-,20+,21+/m1/s1
InChIKey
UMHZOKZJSDUHIU-HKBOAZHASA-N
Compound name
(2S,3R,5S)-2-(hydroxymethyl)-5-(4-phenanthren-9-yltriazol-1-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15864
References

0
Patents

361.14264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14992 185.5
[M+Na]+ 384.13186 201.0
[M+NH4]+ 379.17646 193.0
[M+K]+ 400.10580 197.5
[M-H]- 360.13536 191.4
[M+Na-2H]- 382.11731 191.7
[M]+ 361.14209 189.4
[M]- 361.14319 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.