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
1
Annotation Hits

0
References

2
Patents

266.08038 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08766 157.0
[M+Na]+ 289.06960 170.6
[M+NH4]+ 284.11420 163.0
[M+K]+ 305.04354 169.0
[M-H]- 265.07310 159.1
[M+Na-2H]- 287.05505 166.4
[M]+ 266.07983 159.3
[M]- 266.08093 159.3
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