CID 57320

97805-07-7

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC1=C(C(=C(C(=C1CC(=O)N2C=CN=C2)C)C)C(=O)CN3C=CN=C3)C
InChI
InChI=1S/C20H22N4O2/c1-13-15(3)20(18(25)10-23-7-5-21-11-23)16(4)14(2)17(13)9-19(26)24-8-6-22-12-24/h5-8,11-12H,9-10H2,1-4H3
InChIKey
DXXGVUQJLGGWMJ-UHFFFAOYSA-N
Compound name
1-imidazol-1-yl-2-[4-(2-imidazol-1-ylacetyl)-2,3,5,6-tetramethylphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 184.2
[M+Na]+ 373.16352 198.0
[M+NH4]+ 368.20812 189.2
[M+K]+ 389.13746 195.8
[M-H]- 349.16702 186.5
[M+Na-2H]- 371.14897 191.0
[M]+ 350.17375 186.7
[M]- 350.17485 186.7
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.