CID 363051

Nsc627600

Structural Information

Molecular Formula
C22H11NO4
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C4C(=C3)C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H11NO4/c24-19-13-8-4-5-9-14(13)20(25)16-11-18-17(10-15(16)19)21(26)23(22(18)27)12-6-2-1-3-7-12/h1-11H
InChIKey
USNVHYLKUQPFRM-UHFFFAOYSA-N
Compound name
2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.06882 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07610 180.4
[M+Na]+ 376.05804 195.6
[M-H]- 352.06154 191.1
[M+NH4]+ 371.10264 197.0
[M+K]+ 392.03198 188.4
[M+H-H2O]+ 336.06608 171.2
[M+HCOO]- 398.06702 204.1
[M+CH3COO]- 412.08267 193.8
[M+Na-2H]- 374.04349 186.6
[M]+ 353.06827 187.6
[M]- 353.06937 187.6
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.