CID 55662

(1)benzopyrano(3,4-d)imidazol-4(1h)-one, 1-phenyl-

Structural Information

Molecular Formula
C16H10N2O2
SMILES
C1=CC=C(C=C1)N2C=NC3=C2C4=CC=CC=C4OC3=O
InChI
InChI=1S/C16H10N2O2/c19-16-14-15(12-8-4-5-9-13(12)20-16)18(10-17-14)11-6-2-1-3-7-11/h1-10H
InChIKey
XFCLFMIGIKTGFN-UHFFFAOYSA-N
Compound name
1-phenylchromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

79
Patents

262.07422 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 155.8
[M+Na]+ 285.06344 168.4
[M-H]- 261.06694 163.6
[M+NH4]+ 280.10804 172.3
[M+K]+ 301.03738 163.7
[M+H-H2O]+ 245.07148 147.0
[M+HCOO]- 307.07242 178.1
[M+CH3COO]- 321.08807 169.5
[M+Na-2H]- 283.04889 164.9
[M]+ 262.07367 160.0
[M]- 262.07477 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe