CID 55655

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

Structural Information

Molecular Formula
C12H10N2O2
SMILES
CCN1C=NC2=C1C3=CC=CC=C3OC2=O
InChI
InChI=1S/C12H10N2O2/c1-2-14-7-13-10-11(14)8-5-3-4-6-9(8)16-12(10)15/h3-7H,2H2,1H3
InChIKey
SBCQNEWBFMWUOB-UHFFFAOYSA-N
Compound name
1-ethylchromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

214.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.081506 142.6
[M+Na]+ 237.063448 155.8
[M-H]- 213.066954 147.4
[M+NH4]+ 232.108053 161.9
[M+K]+ 253.037388 152.6
[M+H-H2O]+ 197.071490 135.5
[M+HCOO]- 259.072431 165.2
[M+CH3COO]- 273.088081 157.4
[M+Na-2H]- 235.048896 152.0
[M]+ 214.07368142 148.3
[M]- 214.07477858 148.3
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