CID 3047487

1,3-dihydro-1-((heptyloxy)methyl)-3-methyl-2h-benzimidazol-2-imine hydrochloride

Structural Information

Molecular Formula
C16H25N3O
SMILES
CCCCCCCOCN1C2=CC=CC=C2N(C1=N)C
InChI
InChI=1S/C16H25N3O/c1-3-4-5-6-9-12-20-13-19-15-11-8-7-10-14(15)18(2)16(19)17/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3
InChIKey
YDUSDONRRCIARQ-UHFFFAOYSA-N
Compound name
1-(heptoxymethyl)-3-methylbenzimidazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.19977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 166.5
[M+Na]+ 298.18899 175.3
[M-H]- 274.19249 168.4
[M+NH4]+ 293.23359 183.3
[M+K]+ 314.16293 170.4
[M+H-H2O]+ 258.19703 158.1
[M+HCOO]- 320.19797 189.5
[M+CH3COO]- 334.21362 204.4
[M+Na-2H]- 296.17444 170.7
[M]+ 275.19922 172.0
[M]- 275.20032 172.0
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.