CID 19017768

40294-35-7

Structural Information

Molecular Formula
C9H11N3O2
SMILES
COC1=C(C=C2C(=C1)NC(=N2)N)OC
InChI
InChI=1S/C9H11N3O2/c1-13-7-3-5-6(4-8(7)14-2)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12)
InChIKey
POWPTEBMSHLSRA-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

193.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 138.4
[M+Na]+ 216.074348 149.6
[M-H]- 192.077854 139.9
[M+NH4]+ 211.118953 157.7
[M+K]+ 232.048288 146.4
[M+H-H2O]+ 176.082390 131.7
[M+HCOO]- 238.083331 161.9
[M+CH3COO]- 252.098981 183.1
[M+Na-2H]- 214.059796 145.1
[M]+ 193.08458142 140.9
[M]- 193.08567858 140.9
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

patents stripe