CID 55654

87236-16-6

Structural Information

Molecular Formula
C11H8N2O2
SMILES
CN1C=NC2=C1C3=CC=CC=C3OC2=O
InChI
InChI=1S/C11H8N2O2/c1-13-6-12-9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-6H,1H3
InChIKey
PYBRFNFQHRUEEZ-UHFFFAOYSA-N
Compound name
1-methylchromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

53
Patents

200.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 137.8
[M+Na]+ 223.04780 151.4
[M-H]- 199.05130 142.8
[M+NH4]+ 218.09240 157.7
[M+K]+ 239.02174 148.5
[M+H-H2O]+ 183.05584 130.9
[M+HCOO]- 245.05678 160.7
[M+CH3COO]- 259.07243 153.0
[M+Na-2H]- 221.03325 147.7
[M]+ 200.05803 143.2
[M]- 200.05913 143.2
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