CID 492583

Chembl287024

Structural Information

Molecular Formula
C21H18N2O
SMILES
CN(CC#CC#CC1=CC=CC=C1)C2=CC=CC3=C2CCC(=O)N3
InChI
InChI=1S/C21H18N2O/c1-23(16-7-3-6-11-17-9-4-2-5-10-17)20-13-8-12-19-18(20)14-15-21(24)22-19/h2,4-5,8-10,12-13H,14-16H2,1H3,(H,22,24)
InChIKey
IHGQXWPRAYQVGY-UHFFFAOYSA-N
Compound name
5-[methyl(5-phenylpenta-2,4-diynyl)amino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1419 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14918 184.9
[M+Na]+ 337.13112 194.2
[M-H]- 313.13462 186.1
[M+NH4]+ 332.17572 193.1
[M+K]+ 353.10506 183.2
[M+H-H2O]+ 297.13916 168.3
[M+HCOO]- 359.14010 190.4
[M+CH3COO]- 373.15575 189.0
[M+Na-2H]- 335.11657 183.8
[M]+ 314.14135 173.3
[M]- 314.14245 173.3
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

No patent data available for this compound.