CID 51030870

Varoglutamstat

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CCCOC1=CC=C(C=C1)[C@H]2CNC(=O)N2C3=CC4=C(C=C3)N=CN4
InChI
InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1
InChIKey
XHIKZWOEFZENIX-GOSISDBHSA-N
Compound name
(5S)-1-(3H-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

58
Patents

336.15863 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 180.8
[M+Na]+ 359.14785 194.2
[M+NH4]+ 354.19245 187.0
[M+K]+ 375.12179 190.9
[M-H]- 335.15135 183.5
[M+Na-2H]- 357.13330 187.1
[M]+ 336.15808 183.3
[M]- 336.15918 183.3
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