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 183.8
[M+Na]+ 373.16352 194.0
[M-H]- 349.16702 190.3
[M+NH4]+ 368.20812 195.4
[M+K]+ 389.13746 188.8
[M+H-H2O]+ 333.17156 173.8
[M+HCOO]- 395.17250 203.9
[M+CH3COO]- 409.18815 215.6
[M+Na-2H]- 371.14897 180.6
[M]+ 350.17375 189.6
[M]- 350.17485 189.6
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.