CID 198778

149455-36-7

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-oxo-1-pyridinyl)naphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

8
Patents

290.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 170.4
[M+Na]+ 313.094748 184.0
[M-H]- 289.098254 176.0
[M+NH4]+ 308.139353 186.1
[M+K]+ 329.068688 175.6
[M+H-H2O]+ 273.102790 155.9
[M+HCOO]- 335.103731 187.5
[M+CH3COO]- 349.119381 181.2
[M+Na-2H]- 311.080196 174.8
[M]+ 290.10498142 166.7
[M]- 290.10607858 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