CID 123703

(3,4-dihydroxyphenylamino)-2-imidazoline

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CN=C(N1)NC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C9H11N3O2/c13-7-2-1-6(5-8(7)14)12-9-10-3-4-11-9/h1-2,5,13-14H,3-4H2,(H2,10,11,12)
InChIKey
XSOORMTWBMMJSJ-UHFFFAOYSA-N
Compound name
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

66
References

31
Patents

193.08513 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 139.9
[M+Na]+ 216.074348 147.2
[M-H]- 192.077854 140.5
[M+NH4]+ 211.118953 156.1
[M+K]+ 232.048288 143.0
[M+H-H2O]+ 176.082390 132.5
[M+HCOO]- 238.083331 159.6
[M+CH3COO]- 252.098981 175.8
[M+Na-2H]- 214.059796 144.8
[M]+ 193.08458142 134.9
[M]- 193.08567858 134.9
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