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 177.0
[M+Na]+ 348.18082 181.8
[M-H]- 324.18432 183.5
[M+NH4]+ 343.22542 191.7
[M+K]+ 364.15476 173.7
[M+H-H2O]+ 308.18886 171.5
[M+HCOO]- 370.18980 195.9
[M+CH3COO]- 384.20545 211.4
[M+Na-2H]- 346.16627 187.3
[M]+ 325.19105 177.7
[M]- 325.19215 177.7
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.