CID 55657

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

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC(C)N1C=NC2=C1C3=CC=CC=C3OC2=O
InChI
InChI=1S/C13H12N2O2/c1-8(2)15-7-14-11-12(15)9-5-3-4-6-10(9)17-13(11)16/h3-8H,1-2H3
InChIKey
VOQYOAGHEUDKBD-UHFFFAOYSA-N
Compound name
1-propan-2-ylchromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

228.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 147.3
[M+Na]+ 251.07909 163.2
[M+NH4]+ 246.12369 156.0
[M+K]+ 267.05303 158.4
[M-H]- 227.08259 150.7
[M+Na-2H]- 249.06454 153.5
[M]+ 228.08932 150.7
[M]- 228.09042 150.7
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