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 171.0
[M+Na]+ 312.20464 179.4
[M-H]- 288.20814 172.8
[M+NH4]+ 307.24924 187.3
[M+K]+ 328.17858 174.3
[M+H-H2O]+ 272.21268 162.5
[M+HCOO]- 334.21362 193.7
[M+CH3COO]- 348.22927 207.4
[M+Na-2H]- 310.19009 174.7
[M]+ 289.21487 176.9
[M]- 289.21597 176.9
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.