CID 37882

38013-78-4

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CN(C)CCOC1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)OCCN(C)C
InChI
InChI=1S/C21H28N2O3/c1-22(2)9-11-24-18-5-7-20-16(14-18)13-17-15-19(6-8-21(17)26-20)25-12-10-23(3)4/h5-8,14-15H,9-13H2,1-4H3
InChIKey
BSOCJVXJLPDOKB-UHFFFAOYSA-N
Compound name
2-[[7-[2-(dimethylamino)ethoxy]-9H-xanthen-2-yl]oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

356.21 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 187.2
[M+Na]+ 379.19922 199.6
[M+NH4]+ 374.24382 195.5
[M+K]+ 395.17316 191.9
[M-H]- 355.20272 193.5
[M+Na-2H]- 377.18467 192.2
[M]+ 356.20945 190.8
[M]- 356.21055 190.8
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