CID 457732

Cleistopholine

Structural Information

Molecular Formula
C14H9NO2
SMILES
CC1=C2C(=NC=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H9NO2/c1-8-6-7-15-12-11(8)13(16)9-4-2-3-5-10(9)14(12)17/h2-7H,1H3
InChIKey
GVRYUHXXENMGEV-UHFFFAOYSA-N
Compound name
4-methylbenzo[g]quinoline-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

29
Patents

223.06332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 145.5
[M+Na]+ 246.05254 156.7
[M-H]- 222.05604 150.3
[M+NH4]+ 241.09714 165.0
[M+K]+ 262.02648 152.0
[M+H-H2O]+ 206.06058 138.2
[M+HCOO]- 268.06152 166.0
[M+CH3COO]- 282.07717 159.1
[M+Na-2H]- 244.03799 153.6
[M]+ 223.06277 146.7
[M]- 223.06387 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe