CID 434117

Nsc342979

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(O2)C=CC(=C3)O
InChI
InChI=1S/C18H20N2O3/c1-11-4-6-14(19-8-9-20(2)3)16-17(22)13-10-12(21)5-7-15(13)23-18(11)16/h4-7,10,19,21H,8-9H2,1-3H3
InChIKey
QBUATVGLDZNNBO-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-methylxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1474 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 172.5
[M+Na]+ 335.13662 182.3
[M-H]- 311.14012 179.6
[M+NH4]+ 330.18122 188.1
[M+K]+ 351.11056 179.7
[M+H-H2O]+ 295.14466 164.4
[M+HCOO]- 357.14560 195.7
[M+CH3COO]- 371.16125 215.9
[M+Na-2H]- 333.12207 179.9
[M]+ 312.14685 178.6
[M]- 312.14795 178.6
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

No patent data available for this compound.