CID 198778

Ur 8225

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CC1(C=C(C2=C(C1=O)C=CC(=C2)C#N)N3C=CC=CC3=O)C
InChI
InChI=1S/C18H14N2O2/c1-18(2)10-15(20-8-4-3-5-16(20)21)14-9-12(11-19)6-7-13(14)17(18)22/h3-10H,1-2H3
InChIKey
PJCGOKFHROWGBX-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5-oxo-8-(2-oxopyridin-1-yl)naphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

7
Patents

290.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 170.4
[M+Na]+ 313.09475 184.0
[M-H]- 289.09825 176.0
[M+NH4]+ 308.13935 186.1
[M+K]+ 329.06869 175.6
[M+H-H2O]+ 273.10279 155.9
[M+HCOO]- 335.10373 187.5
[M+CH3COO]- 349.11938 181.2
[M+Na-2H]- 311.08020 174.8
[M]+ 290.10498 166.7
[M]- 290.10608 166.7
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