CID 3055623

72649-97-9

Structural Information

Molecular Formula
C14H19BrN2
SMILES
CC1=C(C(=C(C(=C1CC2=NCCN2)C)C)Br)C
InChI
InChI=1S/C14H19BrN2/c1-8-10(3)14(15)11(4)9(2)12(8)7-13-16-5-6-17-13/h5-7H2,1-4H3,(H,16,17)
InChIKey
UOJQSBBFRLTLPY-UHFFFAOYSA-N
Compound name
2-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07315 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08043 162.7
[M+Na]+ 317.06237 175.5
[M-H]- 293.06587 168.8
[M+NH4]+ 312.10697 181.5
[M+K]+ 333.03631 162.4
[M+H-H2O]+ 277.07041 161.7
[M+HCOO]- 339.07135 180.1
[M+CH3COO]- 353.08700 200.1
[M+Na-2H]- 315.04782 164.3
[M]+ 294.07260 181.0
[M]- 294.07370 181.0
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.