CID 37877

37971-99-6

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CN(C)CC(=O)C1=CC2=C(C=C1)OC3=C(C2)C=C(C=C3)C(=O)CN(C)C
InChI
InChI=1S/C21H24N2O3/c1-22(2)12-18(24)14-5-7-20-16(9-14)11-17-10-15(6-8-21(17)26-20)19(25)13-23(3)4/h5-10H,11-13H2,1-4H3
InChIKey
MCGUIXIFIYPRRO-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-[7-[2-(dimethylamino)acetyl]-9H-xanthen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

352.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 185.6
[M+Na]+ 375.16790 190.4
[M-H]- 351.17140 193.4
[M+NH4]+ 370.21250 199.6
[M+K]+ 391.14184 190.0
[M+H-H2O]+ 335.17594 176.7
[M+HCOO]- 397.17688 205.0
[M+CH3COO]- 411.19253 229.5
[M+Na-2H]- 373.15335 188.3
[M]+ 352.17813 190.0
[M]- 352.17923 190.0
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