CID 71115

Prothixene

Structural Information

Molecular Formula
C18H19NS
SMILES
CN(C)CCC=C1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C18H19NS/c1-19(2)13-7-10-14-15-8-3-5-11-17(15)20-18-12-6-4-9-16(14)18/h3-6,8-12H,7,13H2,1-2H3
InChIKey
JJSMYTSEKDSFKK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-thioxanthen-9-ylidenepropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

104
Patents

281.1238 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13108 163.2
[M+Na]+ 304.11302 177.6
[M+NH4]+ 299.15762 174.4
[M+K]+ 320.08696 165.7
[M-H]- 280.11652 169.1
[M+Na-2H]- 302.09847 170.8
[M]+ 281.12325 167.6
[M]- 281.12435 167.6
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

patents stripe