CID 110223

Phthalic acid, imidazole diamide

Structural Information

Molecular Formula
C14H10N4O2
SMILES
C1=CC=C(C(=C1)C(=O)N2C=CN=C2)C(=O)N3C=CN=C3
InChI
InChI=1S/C14H10N4O2/c19-13(17-7-5-15-9-17)11-3-1-2-4-12(11)14(20)18-8-6-16-10-18/h1-10H
InChIKey
PJWURJVLYPGKCO-UHFFFAOYSA-N
Compound name
[2-(imidazole-1-carbonyl)phenyl]-imidazol-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

266.08038 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.087656 157.1
[M+Na]+ 289.069598 166.5
[M-H]- 265.073104 163.1
[M+NH4]+ 284.114203 171.0
[M+K]+ 305.043538 162.8
[M+H-H2O]+ 249.077640 146.8
[M+HCOO]- 311.078581 179.3
[M+CH3COO]- 325.094231 169.3
[M+Na-2H]- 287.055046 159.8
[M]+ 266.07983142 159.1
[M]- 266.08092858 159.1
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