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

61
Patents

193.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 138.4
[M+Na]+ 216.07435 149.6
[M-H]- 192.07785 139.9
[M+NH4]+ 211.11895 157.7
[M+K]+ 232.04829 146.4
[M+H-H2O]+ 176.08239 131.7
[M+HCOO]- 238.08333 161.9
[M+CH3COO]- 252.09898 183.1
[M+Na-2H]- 214.05980 145.1
[M]+ 193.08458 140.9
[M]- 193.08568 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