CID 5186

Scriptaid

Structural Information

Molecular Formula
C18H18N2O4
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NO
InChI
InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
InChIKey
JTDYUFSDZATMKU-UHFFFAOYSA-N
Compound name
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

110
References

4934
Patents

326.12665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 174.9
[M+Na]+ 349.11587 186.4
[M+NH4]+ 344.16047 181.1
[M+K]+ 365.08981 179.8
[M-H]- 325.11937 175.6
[M+Na-2H]- 347.10132 177.2
[M]+ 326.12610 176.4
[M]- 326.12720 176.4
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