CID 3006830

1-[2-(2-bromophenyl)decyl]imidazole

Structural Information

Molecular Formula
C19H27BrN2
SMILES
CCCCCCCCC(CN1C=CN=C1)C2=CC=CC=C2Br
InChI
InChI=1S/C19H27BrN2/c1-2-3-4-5-6-7-10-17(15-22-14-13-21-16-22)18-11-8-9-12-19(18)20/h8-9,11-14,16-17H,2-7,10,15H2,1H3
InChIKey
HUFKRMACVJVEBL-UHFFFAOYSA-N
Compound name
1-[2-(2-bromophenyl)decyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.13577 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14305 184.3
[M+Na]+ 385.12499 192.5
[M-H]- 361.12849 189.7
[M+NH4]+ 380.16959 199.9
[M+K]+ 401.09893 179.6
[M+H-H2O]+ 345.13303 181.4
[M+HCOO]- 407.13397 201.9
[M+CH3COO]- 421.14962 212.4
[M+Na-2H]- 383.11044 186.1
[M]+ 362.13522 205.2
[M]- 362.13632 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.