CID 52761

73931-92-7

Structural Information

Molecular Formula
C15H17BrN2O
SMILES
CC1=C(C(=C(C(=C1C(=O)CN2C=CN=C2)C)C)Br)C
InChI
InChI=1S/C15H17BrN2O/c1-9-11(3)15(16)12(4)10(2)14(9)13(19)7-18-6-5-17-8-18/h5-6,8H,7H2,1-4H3
InChIKey
NOMMVAHXJWVYNX-UHFFFAOYSA-N
Compound name
1-(4-bromo-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.05243 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05971 169.6
[M+Na]+ 343.04165 174.0
[M+NH4]+ 338.08625 173.3
[M+K]+ 359.01559 174.7
[M-H]- 319.04515 170.5
[M+Na-2H]- 341.02710 172.2
[M]+ 320.05188 169.3
[M]- 320.05298 169.3
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