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

15893
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 183.2
[M+Na]+ 384.13186 192.8
[M-H]- 360.13536 190.3
[M+NH4]+ 379.17646 194.6
[M+K]+ 400.10580 186.9
[M+H-H2O]+ 344.13990 174.1
[M+HCOO]- 406.14084 198.7
[M+CH3COO]- 420.15649 193.3
[M+Na-2H]- 382.11731 184.4
[M]+ 361.14209 184.7
[M]- 361.14319 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.