CID 5934799

Nsc108469

Structural Information

Molecular Formula
C21H16N2O
SMILES
CN1C2=CC=CC=C2C(=CC1=O)/C=C/C3=CC=NC4=CC=CC=C34
InChI
InChI=1S/C21H16N2O/c1-23-20-9-5-3-7-18(20)16(14-21(23)24)11-10-15-12-13-22-19-8-4-2-6-17(15)19/h2-14H,1H3/b11-10+
InChIKey
VUYHRYFIPKLQTE-ZHACJKMWSA-N
Compound name
1-methyl-4-[(E)-2-quinolin-4-ylethenyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12625 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13353 175.3
[M+Na]+ 335.11547 186.7
[M-H]- 311.11897 181.5
[M+NH4]+ 330.16007 189.2
[M+K]+ 351.08941 178.3
[M+H-H2O]+ 295.12351 164.5
[M+HCOO]- 357.12445 195.6
[M+CH3COO]- 371.14010 186.6
[M+Na-2H]- 333.10092 183.4
[M]+ 312.12570 177.6
[M]- 312.12680 177.6
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.