CID 54688597

Zanthobisquinolone

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)CC3=C(C4=CC=CC=C4N(C3=O)C)O)O
InChI
InChI=1S/C21H18N2O4/c1-22-16-9-5-3-7-12(16)18(24)14(20(22)26)11-15-19(25)13-8-4-6-10-17(13)23(2)21(15)27/h3-10,24-25H,11H2,1-2H3
InChIKey
JCLGYGPWVWEPSU-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

362.12665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 187.3
[M+Na]+ 385.11587 200.4
[M-H]- 361.11937 192.5
[M+NH4]+ 380.16047 198.5
[M+K]+ 401.08981 193.3
[M+H-H2O]+ 345.12391 177.3
[M+HCOO]- 407.12485 204.8
[M+CH3COO]- 421.14050 198.0
[M+Na-2H]- 383.10132 191.8
[M]+ 362.12610 192.1
[M]- 362.12720 192.1
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