CID 215595

9-(2-(diethylamino)-1-methylethyl)xanthyrol maleate

Structural Information

Molecular Formula
C20H25NO2
SMILES
CCN(CC)CC(C)C1(C2=CC=CC=C2OC3=CC=CC=C31)O
InChI
InChI=1S/C20H25NO2/c1-4-21(5-2)14-15(3)20(22)16-10-6-8-12-18(16)23-19-13-9-7-11-17(19)20/h6-13,15,22H,4-5,14H2,1-3H3
InChIKey
VFPUWJSGNCZPBS-UHFFFAOYSA-N
Compound name
9-[1-(diethylamino)propan-2-yl]xanthen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.5
[M+Na]+ 334.17776 182.2
[M-H]- 310.18126 181.7
[M+NH4]+ 329.22236 193.4
[M+K]+ 350.15170 179.8
[M+H-H2O]+ 294.18580 168.6
[M+HCOO]- 356.18674 193.8
[M+CH3COO]- 370.20239 212.4
[M+Na-2H]- 332.16321 182.3
[M]+ 311.18799 178.7
[M]- 311.18909 178.7
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.