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]+ 257.092056 154.5
[M+Na]+ 279.073998 163.0
[M-H]- 255.077504 156.7
[M+NH4]+ 274.118603 171.7
[M+K]+ 295.047938 158.5
[M+H-H2O]+ 239.082040 147.1
[M+HCOO]- 301.082981 173.3
[M+CH3COO]- 315.098631 198.0
[M+Na-2H]- 277.059446 162.2
[M]+ 256.08423142 155.1
[M]- 256.08532858 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

literature stripe

Patent stripe

patents stripe