CID 3057030

73932-50-0

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1=CC(=C(C(=C1C)C(=O)C(C)N2C=CN=C2)C)C
InChI
InChI=1S/C16H20N2O/c1-10-8-11(2)13(4)15(12(10)3)16(19)14(5)18-7-6-17-9-18/h6-9,14H,1-5H3
InChIKey
YYYCBFUSYDLPBA-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 160.0
[M+Na]+ 279.146778 169.2
[M-H]- 255.150284 165.0
[M+NH4]+ 274.191383 176.8
[M+K]+ 295.120718 165.7
[M+H-H2O]+ 239.154820 152.2
[M+HCOO]- 301.155761 180.4
[M+CH3COO]- 315.171411 200.8
[M+Na-2H]- 277.132226 159.4
[M]+ 256.15701142 162.8
[M]- 256.15810858 162.8
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.