CID 28303428

5-(5,6-dimethoxy-1h-benzo[d]imidazol-2-yl)-2-methylaniline

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CC1=C(C=C(C=C1)C2=NC3=CC(=C(C=C3N2)OC)OC)N
InChI
InChI=1S/C16H17N3O2/c1-9-4-5-10(6-11(9)17)16-18-12-7-14(20-2)15(21-3)8-13(12)19-16/h4-8H,17H2,1-3H3,(H,18,19)
InChIKey
AAHLHOSWBMDOMF-UHFFFAOYSA-N
Compound name
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.5
[M+Na]+ 306.12130 176.7
[M-H]- 282.12480 170.4
[M+NH4]+ 301.16590 181.1
[M+K]+ 322.09524 171.2
[M+H-H2O]+ 266.12934 157.2
[M+HCOO]- 328.13028 187.8
[M+CH3COO]- 342.14593 177.8
[M+Na-2H]- 304.10675 169.3
[M]+ 283.13153 168.7
[M]- 283.13263 168.7
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.