CID 3050673

66910-64-3

Structural Information

Molecular Formula
C17H27N3O
SMILES
CCN(CC)CCCC(C)N1C=NC2=C1C=CC(=C2)OC
InChI
InChI=1S/C17H27N3O/c1-5-19(6-2)11-7-8-14(3)20-13-18-16-12-15(21-4)9-10-17(16)20/h9-10,12-14H,5-8,11H2,1-4H3
InChIKey
OLNWFGKUNZNDKP-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(5-methoxybenzimidazol-1-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.21542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.22270 172.7
[M+Na]+ 312.20464 179.7
[M-H]- 288.20814 175.7
[M+NH4]+ 307.24924 189.2
[M+K]+ 328.17858 177.1
[M+H-H2O]+ 272.21268 163.8
[M+HCOO]- 334.21362 194.7
[M+CH3COO]- 348.22927 211.1
[M+Na-2H]- 310.19009 175.2
[M]+ 289.21487 179.5
[M]- 289.21597 179.5
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.