CID 6448322

85986-82-9

Structural Information

Molecular Formula
C23H22N4O4
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC(=C(C=C4)O)OC)/C3=O)C
InChI
InChI=1S/C23H22N4O4/c1-13-9-19(17-12-16(30-3)6-7-18(17)24-13)26-27-14(2)25-20(23(27)29)10-15-5-8-21(28)22(11-15)31-4/h5-12,28H,1-4H3,(H,24,26)/b20-10-
InChIKey
UQWVVMFGZUBDOK-JMIUGGIZSA-N
Compound name
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1641 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17138 204.1
[M+Na]+ 441.15332 218.6
[M+NH4]+ 436.19792 209.0
[M+K]+ 457.12726 213.4
[M-H]- 417.15682 208.2
[M+Na-2H]- 439.13877 209.7
[M]+ 418.16355 207.2
[M]- 418.16465 207.2
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.