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]+ 393.229836 198.6
[M+Na]+ 415.211778 201.0
[M-H]- 391.215284 207.3
[M+NH4]+ 410.256383 211.3
[M+K]+ 431.185718 191.0
[M+H-H2O]+ 375.219820 190.3
[M+HCOO]- 437.220761 208.6
[M+CH3COO]- 451.236411 212.9
[M+Na-2H]- 413.197226 199.8
[M]+ 392.22201142 191.6
[M]- 392.22310858 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.