CID 24845532

Ahr 349

Structural Information

Molecular Formula
C25H30NO3
SMILES
C[N+]1(CCC(C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5
InChI
InChI=1S/C25H30NO3/c1-26(18-9-3-2-4-10-18)16-15-19(17-26)28-25(27)24-20-11-5-7-13-22(20)29-23-14-8-6-12-21(23)24/h5-8,11-14,18-19,24H,2-4,9-10,15-17H2,1H3/q+1
InChIKey
UBCJNQQRGHCHEP-UHFFFAOYSA-N
Compound name
(1-cyclohexyl-1-methylpyrrolidin-1-ium-3-yl) 9H-xanthene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.22256 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22984 198.6
[M+Na]+ 415.21178 201.0
[M-H]- 391.21528 207.3
[M+NH4]+ 410.25638 211.3
[M+K]+ 431.18572 191.0
[M+H-H2O]+ 375.21982 190.3
[M+HCOO]- 437.22076 208.6
[M+CH3COO]- 451.23641 212.9
[M+Na-2H]- 413.19723 199.8
[M]+ 392.22201 191.6
[M]- 392.22311 191.6
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.