CID 305324

Nsc202090

Structural Information

Molecular Formula
C14H12N2O3
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)NCCO
InChI
InChI=1S/C14H12N2O3/c17-8-7-15-16-13(18)10-5-1-3-9-4-2-6-11(12(9)10)14(16)19/h1-6,15,17H,7-8H2
InChIKey
MVJYKXQFMAENFI-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

256.08478 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 154.5
[M+Na]+ 279.07400 163.0
[M-H]- 255.07750 156.7
[M+NH4]+ 274.11860 171.7
[M+K]+ 295.04794 158.5
[M+H-H2O]+ 239.08204 147.1
[M+HCOO]- 301.08298 173.3
[M+CH3COO]- 315.09863 198.0
[M+Na-2H]- 277.05945 162.2
[M]+ 256.08423 155.1
[M]- 256.08533 155.1
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.