CID 341169

Nsc372783

Structural Information

Molecular Formula
C19H15NO2
SMILES
CC1=CC2=C(C(=C1C)C#N)OC(=O)C(=C2C)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO2/c1-11-9-15-13(3)17(14-7-5-4-6-8-14)19(21)22-18(15)16(10-20)12(11)2/h4-9H,1-3H3
InChIKey
KOAAVUVSKWBAPF-UHFFFAOYSA-N
Compound name
4,6,7-trimethyl-2-oxo-3-phenylchromene-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 170.7
[M+Na]+ 312.09952 184.8
[M-H]- 288.10302 178.4
[M+NH4]+ 307.14412 185.2
[M+K]+ 328.07346 178.0
[M+H-H2O]+ 272.10756 156.7
[M+HCOO]- 334.10850 189.1
[M+CH3COO]- 348.12415 182.3
[M+Na-2H]- 310.08497 174.5
[M]+ 289.10975 169.5
[M]- 289.11085 169.5
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.