CID 830860

94110-12-0

Structural Information

Molecular Formula
C20H14N2O4
SMILES
CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C
InChI
InChI=1S/C20H14N2O4/c1-11-6-8-16(12(2)10-11)21-19(23)14-5-3-4-13-17(22(25)26)9-7-15(18(13)14)20(21)24/h3-10H,1-2H3
InChIKey
SUJZKVRSVRWPAQ-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09537 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.102646 180.2
[M+Na]+ 369.084588 188.6
[M-H]- 345.088094 187.1
[M+NH4]+ 364.129193 193.3
[M+K]+ 385.058528 179.4
[M+H-H2O]+ 329.092630 174.8
[M+HCOO]- 391.093571 198.8
[M+CH3COO]- 405.109221 212.5
[M+Na-2H]- 367.070036 186.2
[M]+ 346.09482142 180.8
[M]- 346.09591858 180.8
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.