CID 17753917

[2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl]acetaldehyde

Structural Information

Molecular Formula
C12H21N3O4
SMILES
C[C@H]([C@@H]([C@]1(N=C(C(=O)N1CC=O)CC(C)C)O)N)O
InChI
InChI=1S/C12H21N3O4/c1-7(2)6-9-11(18)15(4-5-16)12(19,14-9)10(13)8(3)17/h5,7-8,10,17,19H,4,6,13H2,1-3H3/t8-,10+,12-/m1/s1
InChIKey
WOCXRZLDLXIZRL-UBHAPETDSA-N
Compound name
2-[(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(2-methylpropyl)-5-oxoimidazol-1-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1532 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16048 161.7
[M+Na]+ 294.14242 168.1
[M-H]- 270.14592 159.8
[M+NH4]+ 289.18702 177.4
[M+K]+ 310.11636 166.5
[M+H-H2O]+ 254.15046 156.2
[M+HCOO]- 316.15140 177.6
[M+CH3COO]- 330.16705 198.1
[M+Na-2H]- 292.12787 159.6
[M]+ 271.15265 161.5
[M]- 271.15375 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.