CID 467283

2-ethyl-4-methyl-1-propoxybenzimidazole

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCCON1C2=CC=CC(=C2N=C1CC)C
InChI
InChI=1S/C13H18N2O/c1-4-9-16-15-11-8-6-7-10(3)13(11)14-12(15)5-2/h6-8H,4-5,9H2,1-3H3
InChIKey
YMZPJFZAPPZUFR-UHFFFAOYSA-N
Compound name
2-ethyl-4-methyl-1-propoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.5
[M+Na]+ 241.13112 160.4
[M-H]- 217.13462 152.1
[M+NH4]+ 236.17572 169.2
[M+K]+ 257.10506 156.9
[M+H-H2O]+ 201.13916 142.2
[M+HCOO]- 263.14010 172.4
[M+CH3COO]- 277.15575 191.3
[M+Na-2H]- 239.11657 154.9
[M]+ 218.14135 155.4
[M]- 218.14245 155.4
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.