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

27
Patents

276.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.097146 160.5
[M+Na]+ 299.079088 172.7
[M-H]- 275.082594 168.2
[M+NH4]+ 294.123693 176.5
[M+K]+ 315.053028 167.7
[M+H-H2O]+ 259.087130 151.5
[M+HCOO]- 321.088071 182.5
[M+CH3COO]- 335.103721 173.8
[M+Na-2H]- 297.064536 169.1
[M]+ 276.08932142 165.1
[M]- 276.09041858 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