CID 65422

52821-24-6

Structural Information

Molecular Formula
C18H20N2O4
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCO)NCCCO
InChI
InChI=1S/C18H20N2O4/c21-10-2-8-19-15-7-6-14-16-12(15)4-1-5-13(16)17(23)20(18(14)24)9-3-11-22/h1,4-7,19,21-22H,2-3,8-11H2
InChIKey
WPQGAQRPOWJJGT-UHFFFAOYSA-N
Compound name
2-(3-hydroxypropyl)-6-(3-hydroxypropylamino)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

328.1423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 176.1
[M+Na]+ 351.13152 183.0
[M-H]- 327.13502 176.4
[M+NH4]+ 346.17612 189.7
[M+K]+ 367.10546 177.7
[M+H-H2O]+ 311.13956 168.2
[M+HCOO]- 373.14050 192.0
[M+CH3COO]- 387.15615 211.3
[M+Na-2H]- 349.11697 180.7
[M]+ 328.14175 178.1
[M]- 328.14285 178.1
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

patents stripe