CID 490041

3-acetyl-6-iodo-2-methyl-3h-quinolin-4-one

Structural Information

Molecular Formula
C12H10INO2
SMILES
CC1=NC2=C(C=C(C=C2)I)C(=O)C1C(=O)C
InChI
InChI=1S/C12H10INO2/c1-6-11(7(2)15)12(16)9-5-8(13)3-4-10(9)14-6/h3-5,11H,1-2H3
InChIKey
KDTBOSYEZUZUJL-UHFFFAOYSA-N
Compound name
3-acetyl-6-iodo-2-methyl-3H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.97562 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.98290 148.1
[M+Na]+ 349.96484 151.1
[M-H]- 325.96834 144.8
[M+NH4]+ 345.00944 162.0
[M+K]+ 365.93878 153.9
[M+H-H2O]+ 309.97288 138.1
[M+HCOO]- 371.97382 163.5
[M+CH3COO]- 385.98947 199.4
[M+Na-2H]- 347.95029 141.3
[M]+ 326.97507 146.8
[M]- 326.97617 146.8
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.