CID 55656

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

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CCCN1C=NC2=C1C3=CC=CC=C3OC2=O
InChI
InChI=1S/C13H12N2O2/c1-2-7-15-8-14-11-12(15)9-5-3-4-6-10(9)17-13(11)16/h3-6,8H,2,7H2,1H3
InChIKey
MAIPMUKCRMAMJS-UHFFFAOYSA-N
Compound name
1-propylchromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

51
Patents

228.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.097146 147.5
[M+Na]+ 251.079088 160.1
[M-H]- 227.082594 152.1
[M+NH4]+ 246.123693 166.2
[M+K]+ 267.053028 156.7
[M+H-H2O]+ 211.087130 140.1
[M+HCOO]- 273.088071 169.6
[M+CH3COO]- 287.103721 161.7
[M+Na-2H]- 249.064536 156.2
[M]+ 228.08932142 153.5
[M]- 228.09041858 153.5
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