CID 3057017

Ethanone, 2-(1h-imidazol-1-yl)-1-(4-nitro-2,3,5,6-tetramethylphenyl)-

Structural Information

Molecular Formula
C15H17N3O3
SMILES
CC1=C(C(=C(C(=C1C(=O)CN2C=CN=C2)C)C)[N+](=O)[O-])C
InChI
InChI=1S/C15H17N3O3/c1-9-11(3)15(18(20)21)12(4)10(2)14(9)13(19)7-17-6-5-16-8-17/h5-6,8H,7H2,1-4H3
InChIKey
RVAGHHKUOWZRPI-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,5,6-tetramethyl-4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

287.12698 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13426 165.7
[M+Na]+ 310.11620 179.4
[M+NH4]+ 305.16080 172.0
[M+K]+ 326.09014 178.2
[M-H]- 286.11970 168.9
[M+Na-2H]- 308.10165 171.1
[M]+ 287.12643 168.4
[M]- 287.12753 168.4
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