CID 124183

Rmi 10874da

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CN(C)CCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)OCCN(C)C
InChI
InChI=1S/C21H26N2O4/c1-22(2)9-11-25-15-5-7-17-19(13-15)27-20-14-16(26-12-10-23(3)4)6-8-18(20)21(17)24/h5-8,13-14H,9-12H2,1-4H3
InChIKey
ZPLWAZDWGJOBJA-UHFFFAOYSA-N
Compound name
3,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

28
Patents

370.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 188.1
[M+Na]+ 393.17849 202.2
[M+NH4]+ 388.22309 195.6
[M+K]+ 409.15243 194.7
[M-H]- 369.18199 194.1
[M+Na-2H]- 391.16394 194.0
[M]+ 370.18872 191.9
[M]- 370.18982 191.9
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