CID 218183

40294-13-1

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CCC(=O)NC1=NC2=C(C=CC(=C2N1)OC)OC
InChI
InChI=1S/C12H15N3O3/c1-4-9(16)13-12-14-10-7(17-2)5-6-8(18-3)11(10)15-12/h5-6H,4H2,1-3H3,(H2,13,14,15,16)
InChIKey
SOUVCKJJDSBWPC-UHFFFAOYSA-N
Compound name
N-(4,7-dimethoxy-1H-benzimidazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11134 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 155.1
[M+Na]+ 272.10056 166.3
[M+NH4]+ 267.14516 161.1
[M+K]+ 288.07450 163.3
[M-H]- 248.10406 155.0
[M+Na-2H]- 270.08601 159.1
[M]+ 249.11079 156.3
[M]- 249.11189 156.3
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.