CID 20836357

Ahr 361

Structural Information

Molecular Formula
C19H19NO3
SMILES
CC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)N4CCCC4
InChI
InChI=1S/C19H19NO3/c1-12-10-13(20-8-4-5-9-20)11-16-17(12)18(19(21)22)14-6-2-3-7-15(14)23-16/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3,(H,21,22)
InChIKey
POYZNWZOIGMCQR-UHFFFAOYSA-N
Compound name
1-methyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 171.7
[M+Na]+ 332.12572 178.7
[M-H]- 308.12922 178.0
[M+NH4]+ 327.17032 186.8
[M+K]+ 348.09966 174.7
[M+H-H2O]+ 292.13376 163.9
[M+HCOO]- 354.13470 186.3
[M+CH3COO]- 368.15035 182.2
[M+Na-2H]- 330.11117 173.5
[M]+ 309.13595 170.3
[M]- 309.13705 170.3
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.