CID 218240

Verbindungen 453 [german]

Structural Information

Molecular Formula
C21H32N2O
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=CN(C=N2)CCCC
InChI
InChI=1S/C21H32N2O/c1-3-5-7-8-9-10-16-24-20-13-11-19(12-14-20)21-17-23(18-22-21)15-6-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKey
BAEDQMXNFRCJMY-UHFFFAOYSA-N
Compound name
1-butyl-4-(4-octoxyphenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.25874 184.8
[M+Na]+ 351.24068 190.1
[M-H]- 327.24418 187.6
[M+NH4]+ 346.28528 198.1
[M+K]+ 367.21462 184.9
[M+H-H2O]+ 311.24872 174.7
[M+HCOO]- 373.24966 205.1
[M+CH3COO]- 387.26531 212.3
[M+Na-2H]- 349.22613 185.0
[M]+ 328.25091 190.3
[M]- 328.25201 190.3
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

patents stripe