CID 72193861

Ceranib-2

Structural Information

Molecular Formula
C25H19NO3
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H19NO3/c1-29-19-14-11-17(12-15-19)13-16-22(27)24-23(18-7-3-2-4-8-18)20-9-5-6-10-21(20)26-25(24)28/h2-16H,1H3,(H,26,28)/b16-13+
InChIKey
YIJGNIIQDRGGFT-DTQAZKPQSA-N
Compound name
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

381.1365 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.143776 192.9
[M+Na]+ 404.125718 200.5
[M-H]- 380.129224 200.6
[M+NH4]+ 399.170323 202.7
[M+K]+ 420.099658 192.6
[M+H-H2O]+ 364.133760 181.8
[M+HCOO]- 426.134701 211.3
[M+CH3COO]- 440.150351 202.0
[M+Na-2H]- 402.111166 195.9
[M]+ 381.13595142 192.9
[M]- 381.13704858 192.9
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