CID 369226

Nsc640955

Structural Information

Molecular Formula
C22H23NO2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC2=CC(=O)C(=O)C3=CC=CC=C32
InChI
InChI=1S/C22H23NO2/c1-13(2)15-10-7-11-16(14(3)4)21(15)23-19-12-20(24)22(25)18-9-6-5-8-17(18)19/h5-14,23H,1-4H3
InChIKey
LMNZTONKUYDHAJ-UHFFFAOYSA-N
Compound name
4-[2,6-di(propan-2-yl)anilino]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 180.3
[M+Na]+ 356.16210 187.2
[M-H]- 332.16560 187.9
[M+NH4]+ 351.20670 195.0
[M+K]+ 372.13604 182.4
[M+H-H2O]+ 316.17014 172.0
[M+HCOO]- 378.17108 199.9
[M+CH3COO]- 392.18673 219.2
[M+Na-2H]- 354.14755 180.7
[M]+ 333.17233 180.9
[M]- 333.17343 180.9
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.