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
3
Annotation Hits

15907
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]+ 362.149916 183.2
[M+Na]+ 384.131858 192.8
[M-H]- 360.135364 190.3
[M+NH4]+ 379.176463 194.6
[M+K]+ 400.105798 186.9
[M+H-H2O]+ 344.139900 174.1
[M+HCOO]- 406.140841 198.7
[M+CH3COO]- 420.156491 193.3
[M+Na-2H]- 382.117306 184.4
[M]+ 361.14209142 184.7
[M]- 361.14318858 184.7
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.