CID 6437723

89dhk9432d

Structural Information

Molecular Formula
C17H19NS
SMILES
CNCC/C=C\1/C2=C(CCC3=CC=CC=C31)SC=C2
InChI
InChI=1S/C17H19NS/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3/b15-7+
InChIKey
RDBMZAMQBNYOIJ-VIZOYTHASA-N
Compound name
(3E)-N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13108 161.4
[M+Na]+ 292.11302 171.5
[M+NH4]+ 287.15762 170.9
[M+K]+ 308.08696 163.8
[M-H]- 268.11652 165.3
[M+Na-2H]- 290.09847 166.4
[M]+ 269.12325 164.4
[M]- 269.12435 164.4
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.