CID 367786

Nsc637728

Structural Information

Molecular Formula
C20H19NO2
SMILES
CCC1=C(C(=CC=C1)CC)NC2=CC(=O)C(=O)C3=CC=CC=C32
InChI
InChI=1S/C20H19NO2/c1-3-13-8-7-9-14(4-2)19(13)21-17-12-18(22)20(23)16-11-6-5-10-15(16)17/h5-12,21H,3-4H2,1-2H3
InChIKey
YCSOPLIBDXTWNT-UHFFFAOYSA-N
Compound name
4-(2,6-diethylanilino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14157 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14885 171.5
[M+Na]+ 328.13079 180.0
[M-H]- 304.13429 179.4
[M+NH4]+ 323.17539 187.5
[M+K]+ 344.10473 174.3
[M+H-H2O]+ 288.13883 163.1
[M+HCOO]- 350.13977 193.8
[M+CH3COO]- 364.15542 211.4
[M+Na-2H]- 326.11624 175.3
[M]+ 305.14102 172.6
[M]- 305.14212 172.6
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.