CID 59500

102571-21-1

Structural Information

Molecular Formula
C20H25N2O2
SMILES
CC[N+](C)(CC)CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C20H24N2O2/c1-4-22(3,5-2)14-19(23)21-20-15-10-6-8-12-17(15)24-18-13-9-7-11-16(18)20/h6-13,20H,4-5,14H2,1-3H3/p+1
InChIKey
KCKSVIUZZJGJBG-UHFFFAOYSA-O
Compound name
diethyl-methyl-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1916 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19888 176.0
[M+Na]+ 348.18082 190.5
[M+NH4]+ 343.22542 185.8
[M+K]+ 364.15476 183.4
[M-H]- 324.18432 183.5
[M+Na-2H]- 346.16627 182.9
[M]+ 325.19105 180.7
[M]- 325.19215 180.7
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.