CID 55660

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

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C1CCC(CC1)N2C=NC3=C2C4=CC=CC=C4OC3=O
InChI
InChI=1S/C16H16N2O2/c19-16-14-15(12-8-4-5-9-13(12)20-16)18(10-17-14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChIKey
GLXOIRWVKHIVSI-UHFFFAOYSA-N
Compound name
1-cyclohexylchromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

66
Patents

268.1212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 158.7
[M+Na]+ 291.11042 168.1
[M-H]- 267.11392 165.3
[M+NH4]+ 286.15502 174.8
[M+K]+ 307.08436 163.9
[M+H-H2O]+ 251.11846 149.7
[M+HCOO]- 313.11940 176.7
[M+CH3COO]- 327.13505 170.8
[M+Na-2H]- 289.09587 164.8
[M]+ 268.12065 158.7
[M]- 268.12175 158.7
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