CID 164444

142344-87-4

Structural Information

Molecular Formula
C16H21N5O4
SMILES
C1=CC=C(C=C1)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC(=C3N)C(=O)N)O)O
InChI
InChI=1S/C16H21N5O4/c17-14-11(15(18)24)20-8-21(14)16-13(23)12(22)10(25-16)7-19-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,19,22-23H,6-7,17H2,(H2,18,24)/t10-,12-,13-,16-/m1/s1
InChIKey
LECUGLHMNZTZQB-XNIJJKJLSA-N
Compound name
5-amino-1-[(2R,3R,4S,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-2-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

77
Patents

347.15936 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.16664 181.5
[M+Na]+ 370.14858 187.8
[M+NH4]+ 365.19318 185.1
[M+K]+ 386.12252 189.7
[M-H]- 346.15208 185.0
[M+Na-2H]- 368.13403 183.5
[M]+ 347.15881 182.6
[M]- 347.15991 182.6
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

patents stripe