CID 119114

Teniloxazine maleate

Structural Information

Molecular Formula
C16H19NO2S
SMILES
C1COC(CN1)COC2=CC=CC=C2CC3=CC=CS3
InChI
InChI=1S/C16H19NO2S/c1-2-6-16(19-12-14-11-17-7-8-18-14)13(4-1)10-15-5-3-9-20-15/h1-6,9,14,17H,7-8,10-12H2
InChIKey
OILWWIVKIDXCIB-UHFFFAOYSA-N
Compound name
2-[[2-(thiophen-2-ylmethyl)phenoxy]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1494
Patents

289.11365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 165.0
[M+Na]+ 312.10287 170.3
[M-H]- 288.10637 172.0
[M+NH4]+ 307.14747 179.1
[M+K]+ 328.07681 166.5
[M+H-H2O]+ 272.11091 157.3
[M+HCOO]- 334.11185 178.9
[M+CH3COO]- 348.12750 175.4
[M+Na-2H]- 310.08832 165.6
[M]+ 289.11310 163.7
[M]- 289.11420 163.7
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