CID 135413533

Tas-103

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CN(C)CCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43
InChI
InChI=1S/C20H19N3O2/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)
InChIKey
ROWSTIYZUWEOMM-UHFFFAOYSA-N
Compound name
6-[2-(dimethylamino)ethylamino]-3-hydroxyindeno[2,1-c]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

4374
Patents

333.14774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 178.7
[M+Na]+ 356.13696 192.1
[M+NH4]+ 351.18156 187.3
[M+K]+ 372.11090 185.9
[M-H]- 332.14046 182.9
[M+Na-2H]- 354.12241 183.4
[M]+ 333.14719 181.8
[M]- 333.14829 181.8
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