CID 72499

Nsc652596

Structural Information

Molecular Formula
C24H24O4
SMILES
CC(C)(C)C1=CC(=C2C(=O)C3=CC=CC=C3C(=O)C2=O)C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C24H24O4/c1-23(2,3)16-11-13(12-17(21(16)27)24(4,5)6)18-19(25)14-9-7-8-10-15(14)20(26)22(18)28/h7-12H,1-6H3
InChIKey
QDWPQDNQZPSIDU-UHFFFAOYSA-N
Compound name
3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalene-1,2,4-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.16745 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17473 186.6
[M+Na]+ 399.15667 195.4
[M-H]- 375.16017 194.6
[M+NH4]+ 394.20127 200.5
[M+K]+ 415.13061 190.6
[M+H-H2O]+ 359.16471 179.9
[M+HCOO]- 421.16565 201.4
[M+CH3COO]- 435.18130 222.7
[M+Na-2H]- 397.14212 187.6
[M]+ 376.16690 187.5
[M]- 376.16800 187.5
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.