CID 55661

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

Structural Information

Molecular Formula
C17H12N2O2
SMILES
C1=CC=C(C=C1)CN2C=NC3=C2C4=CC=CC=C4OC3=O
InChI
InChI=1S/C17H12N2O2/c20-17-15-16(13-8-4-5-9-14(13)21-17)19(11-18-15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKey
JZCHCJLKEZQWBC-UHFFFAOYSA-N
Compound name
1-benzylchromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

276.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 160.5
[M+Na]+ 299.07909 172.7
[M-H]- 275.08259 168.2
[M+NH4]+ 294.12369 176.5
[M+K]+ 315.05303 167.7
[M+H-H2O]+ 259.08713 151.5
[M+HCOO]- 321.08807 182.5
[M+CH3COO]- 335.10372 173.8
[M+Na-2H]- 297.06454 169.1
[M]+ 276.08932 165.1
[M]- 276.09042 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe