CID 24842932

48 q

Structural Information

Molecular Formula
C23H29N2O2
SMILES
CC(CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13)[N+]4(CCCCC4)C
InChI
InChI=1S/C23H28N2O2/c1-17(25(2)14-8-3-9-15-25)16-22(26)24-23-18-10-4-6-12-20(18)27-21-13-7-5-11-19(21)23/h4-7,10-13,17,23H,3,8-9,14-16H2,1-2H3/p+1
InChIKey
FMLQFXGPEJBZJX-UHFFFAOYSA-O
Compound name
3-(1-methylpiperidin-1-ium-1-yl)-N-(9H-xanthen-9-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2229 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.23018 189.8
[M+Na]+ 388.21212 192.2
[M-H]- 364.21562 195.5
[M+NH4]+ 383.25672 202.0
[M+K]+ 404.18606 182.6
[M+H-H2O]+ 348.22016 181.9
[M+HCOO]- 410.22110 201.3
[M+CH3COO]- 424.23675 212.7
[M+Na-2H]- 386.19757 195.5
[M]+ 365.22235 184.0
[M]- 365.22345 184.0
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.