CID 3041895

58741-67-6

Structural Information

Molecular Formula
C21H25NO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)OC(C)C
InChI
InChI=1S/C21H25NO3/c1-5-22(6-2)13-17-19(24-14(3)4)12-11-16-20(23)15-9-7-8-10-18(15)25-21(16)17/h7-12,14H,5-6,13H2,1-4H3
InChIKey
ZQUJTDXNYFCDGI-UHFFFAOYSA-N
Compound name
4-(diethylaminomethyl)-3-propan-2-yloxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 182.5
[M+Na]+ 362.17266 191.1
[M-H]- 338.17616 190.2
[M+NH4]+ 357.21726 197.6
[M+K]+ 378.14660 189.0
[M+H-H2O]+ 322.18070 173.8
[M+HCOO]- 384.18164 204.1
[M+CH3COO]- 398.19729 221.5
[M+Na-2H]- 360.15811 187.7
[M]+ 339.18289 190.9
[M]- 339.18399 190.9
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

No patent data available for this compound.