CID 196868

134377-22-3

Structural Information

Molecular Formula
C16H20N2OS
SMILES
CN1CC(O[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC
InChI
InChI=1S/C16H20N2OS/c1-18-8-11(9-20-2)19-16-12-4-3-5-13-15(12)10(7-17-13)6-14(16)18/h3-5,7,11,14,16-17H,6,8-9H2,1-2H3/t11?,14-,16-/m1/s1
InChIKey
GYUHVILBXXBZDS-PXFYRTPJSA-N
Compound name
(2R,7R)-6-methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

288.12964 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13692 164.9
[M+Na]+ 311.11886 178.6
[M+NH4]+ 306.16346 175.1
[M+K]+ 327.09280 170.4
[M-H]- 287.12236 168.7
[M+Na-2H]- 309.10431 167.1
[M]+ 288.12909 168.6
[M]- 288.13019 168.6
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

No patent data available for this compound.