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]+ 329.149576 176.1
[M+Na]+ 351.131518 183.0
[M-H]- 327.135024 176.4
[M+NH4]+ 346.176123 189.7
[M+K]+ 367.105458 177.7
[M+H-H2O]+ 311.139560 168.2
[M+HCOO]- 373.140501 192.0
[M+CH3COO]- 387.156151 211.3
[M+Na-2H]- 349.116966 180.7
[M]+ 328.14175142 178.1
[M]- 328.14284858 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