CID 467284

2-ethyl-6-methoxy-1-propoxybenzimidazole

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCCON1C2=C(C=CC(=C2)OC)N=C1CC
InChI
InChI=1S/C13H18N2O2/c1-4-8-17-15-12-9-10(16-3)6-7-11(12)14-13(15)5-2/h6-7,9H,4-5,8H2,1-3H3
InChIKey
HBGVIDLVQQWTSR-UHFFFAOYSA-N
Compound name
2-ethyl-6-methoxy-1-propoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 152.6
[M+Na]+ 257.12605 163.4
[M-H]- 233.12955 155.2
[M+NH4]+ 252.17065 171.5
[M+K]+ 273.09999 160.4
[M+H-H2O]+ 217.13409 145.1
[M+HCOO]- 279.13503 175.7
[M+CH3COO]- 293.15068 193.3
[M+Na-2H]- 255.11150 158.0
[M]+ 234.13628 160.0
[M]- 234.13738 160.0
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.