CID 20836353

Ahr 360

Structural Information

Molecular Formula
C20H21NO3
SMILES
CCC1=C2C(C3=CC=CC=C3OC2=CC(=C1)N4CCCC4)C(=O)O
InChI
InChI=1S/C20H21NO3/c1-2-13-11-14(21-9-5-6-10-21)12-17-18(13)19(20(22)23)15-7-3-4-8-16(15)24-17/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3,(H,22,23)
InChIKey
ZCOPKUVQEGVHIH-UHFFFAOYSA-N
Compound name
1-ethyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 176.4
[M+Na]+ 346.14135 182.9
[M-H]- 322.14485 182.4
[M+NH4]+ 341.18595 190.8
[M+K]+ 362.11529 178.7
[M+H-H2O]+ 306.14939 168.4
[M+HCOO]- 368.15033 190.6
[M+CH3COO]- 382.16598 186.4
[M+Na-2H]- 344.12680 177.6
[M]+ 323.15158 175.2
[M]- 323.15268 175.2
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.