CID 211878

23711-18-4

Structural Information

Molecular Formula
C17H27N3
SMILES
CCN(CC)CCCC(C)N1C=NC2=C1C=CC(=C2)C
InChI
InChI=1S/C17H27N3/c1-5-19(6-2)11-7-8-15(4)20-13-18-16-12-14(3)9-10-17(16)20/h9-10,12-13,15H,5-8,11H2,1-4H3
InChIKey
VODUTKWTFNPMRZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(5-methylbenzimidazol-1-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.2205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.22778 169.6
[M+Na]+ 296.20972 176.7
[M-H]- 272.21322 172.6
[M+NH4]+ 291.25432 186.9
[M+K]+ 312.18366 173.5
[M+H-H2O]+ 256.21776 160.8
[M+HCOO]- 318.21870 191.4
[M+CH3COO]- 332.23435 209.2
[M+Na-2H]- 294.19517 172.0
[M]+ 273.21995 175.0
[M]- 273.22105 175.0
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.