CID 3047489

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

Structural Information

Molecular Formula
C17H27N3O
SMILES
CCCCCCCCOCN1C2=CC=CC=C2N(C1=N)C
InChI
InChI=1S/C17H27N3O/c1-3-4-5-6-7-10-13-21-14-20-16-12-9-8-11-15(16)19(2)17(20)18/h8-9,11-12,18H,3-7,10,13-14H2,1-2H3
InChIKey
CDKSFDIHSPXSFQ-UHFFFAOYSA-N
Compound name
1-methyl-3-(octoxymethyl)benzimidazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 171.1
[M+Na]+ 312.20464 183.2
[M+NH4]+ 307.24924 178.0
[M+K]+ 328.17858 176.7
[M-H]- 288.20814 172.5
[M+Na-2H]- 310.19009 175.6
[M]+ 289.21487 173.1
[M]- 289.21597 173.1
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.