CID 3290183

284682-59-3

Structural Information

Molecular Formula
C16H10I2N2O2
SMILES
C1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3I)I
InChI
InChI=1S/C16H10I2N2O2/c17-11-6-12-15(13(18)7-11)19-9-20(16(12)22)8-14(21)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
OZDNVXYFDGRXTG-UHFFFAOYSA-N
Compound name
6,8-diiodo-3-phenacylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.8832 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.89048 172.5
[M+Na]+ 538.87242 167.3
[M-H]- 514.87592 164.5
[M+NH4]+ 533.91702 175.7
[M+K]+ 554.84636 174.2
[M+H-H2O]+ 498.88046 157.4
[M+HCOO]- 560.88140 181.0
[M+CH3COO]- 574.89705 222.4
[M+Na-2H]- 536.85787 160.8
[M]+ 515.88265 168.7
[M]- 515.88375 168.7
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.