CID 135449176

2-(2-imino-2h-chromen-3-yl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C17H11N3O2
SMILES
C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C17H11N3O2/c18-15-12(9-10-5-1-4-8-14(10)22-15)16-19-13-7-3-2-6-11(13)17(21)20-16/h1-9,18H,(H,19,20,21)
InChIKey
IOHWHJVTNWBILZ-UHFFFAOYSA-N
Compound name
2-(2-iminochromen-3-yl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

289.0851 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09238 164.3
[M+Na]+ 312.07432 176.4
[M-H]- 288.07782 170.7
[M+NH4]+ 307.11892 176.9
[M+K]+ 328.04826 169.8
[M+H-H2O]+ 272.08236 154.4
[M+HCOO]- 334.08330 184.9
[M+CH3COO]- 348.09895 176.3
[M+Na-2H]- 310.05977 175.5
[M]+ 289.08455 165.3
[M]- 289.08565 165.3
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

No patent data available for this compound.