CID 126923

N-ribosylhistidine

Structural Information

Molecular Formula
C11H17N3O6
SMILES
C1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H17N3O6/c12-6(11(18)19)1-5-2-14(4-13-5)10-9(17)8(16)7(3-15)20-10/h2,4,6-10,15-17H,1,3,12H2,(H,18,19)/t6-,7+,8+,9+,10+/m0/s1
InChIKey
TTYCFBAOLXCFAB-VAPHQMJDSA-N
Compound name
(2S)-2-amino-3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

105
Patents

287.11172 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11900 164.1
[M+Na]+ 310.10094 168.6
[M+NH4]+ 305.14554 166.5
[M+K]+ 326.07488 173.3
[M-H]- 286.10444 162.2
[M+Na-2H]- 308.08639 162.1
[M]+ 287.11117 163.2
[M]- 287.11227 163.2
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