CID 160047

Oracine

Structural Information

Molecular Formula
C20H18N2O3
SMILES
C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCO
InChI
InChI=1S/C20H18N2O3/c23-12-10-21-9-11-22-18-14-6-2-3-7-15(14)19(24)17(18)13-5-1-4-8-16(13)20(22)25/h1-8,21,23H,9-12H2
InChIKey
LRHPCRBOMKRVOA-UHFFFAOYSA-N
Compound name
6-[2-(2-hydroxyethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

7794
Patents

334.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 176.1
[M+Na]+ 357.12096 185.9
[M-H]- 333.12446 180.4
[M+NH4]+ 352.16556 192.8
[M+K]+ 373.09490 179.1
[M+H-H2O]+ 317.12900 168.3
[M+HCOO]- 379.12994 195.9
[M+CH3COO]- 393.14559 187.1
[M+Na-2H]- 355.10641 181.6
[M]+ 334.13119 179.6
[M]- 334.13229 179.6
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