CID 14416

Lachesine chloride

Structural Information

Molecular Formula
C20H26NO3
SMILES
CC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C20H26NO3/c1-4-21(2,3)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,4,15-16H2,1-3H3/q+1
InChIKey
XRJIGJFEKPXBTD-UHFFFAOYSA-N
Compound name
ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

404
Patents

328.19125 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19853 179.7
[M+Na]+ 351.18047 183.1
[M-H]- 327.18397 185.7
[M+NH4]+ 346.22507 192.7
[M+K]+ 367.15441 174.7
[M+H-H2O]+ 311.18851 174.5
[M+HCOO]- 373.18945 199.1
[M+CH3COO]- 387.20510 204.1
[M+Na-2H]- 349.16592 188.0
[M]+ 328.19070 180.2
[M]- 328.19180 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe