CID 24842940

53 q

Structural Information

Molecular Formula
C21H25N2O2
SMILES
C[N+]1(CCCCC1)CC(=O)NC2C3=CC=CC=C3OC4=CC=CC=C24
InChI
InChI=1S/C21H24N2O2/c1-23(13-7-2-8-14-23)15-20(24)22-21-16-9-3-5-11-18(16)25-19-12-6-4-10-17(19)21/h3-6,9-12,21H,2,7-8,13-15H2,1H3/p+1
InChIKey
YMSKYEYRHFLFDO-UHFFFAOYSA-O
Compound name
2-(1-methylpiperidin-1-ium-1-yl)-N-(9H-xanthen-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1916 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19888 180.8
[M+Na]+ 360.18082 184.4
[M-H]- 336.18432 186.8
[M+NH4]+ 355.22542 194.2
[M+K]+ 376.15476 174.6
[M+H-H2O]+ 320.18886 172.9
[M+HCOO]- 382.18980 194.0
[M+CH3COO]- 396.20545 206.0
[M+Na-2H]- 358.16627 188.6
[M]+ 337.19105 174.9
[M]- 337.19215 174.9
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.