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 165.5
[M+Na]+ 343.04165 179.1
[M-H]- 319.04515 173.3
[M+NH4]+ 338.08625 183.9
[M+K]+ 359.01559 167.0
[M+H-H2O]+ 303.04969 164.3
[M+HCOO]- 365.05063 184.9
[M+CH3COO]- 379.06628 206.8
[M+Na-2H]- 341.02710 167.1
[M]+ 320.05188 187.4
[M]- 320.05298 187.4
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