CID 202747

13210-12-3

Structural Information

Molecular Formula
C20H23NO3
SMILES
CC(CN(C)C)OC(=O)CC1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C20H23NO3/c1-14(13-21(2)3)23-20(22)12-17-15-8-4-6-10-18(15)24-19-11-7-5-9-16(17)19/h4-11,14,17H,12-13H2,1-3H3
InChIKey
GPUALPKHOKGODM-UHFFFAOYSA-N
Compound name
1-(dimethylamino)propan-2-yl 2-(9H-xanthen-9-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 177.1
[M+Na]+ 348.15702 189.8
[M+NH4]+ 343.20162 185.5
[M+K]+ 364.13096 182.9
[M-H]- 324.16052 182.2
[M+Na-2H]- 346.14247 182.0
[M]+ 325.16725 180.4
[M]- 325.16835 180.4
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.