CID 6446689

N 781

Structural Information

Molecular Formula
C18H19NOS
SMILES
CNCC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C18H19NOS/c1-19-11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(20-2)12-16(14)18/h3-4,6-10,12,19H,5,11H2,1-2H3/b14-7+
InChIKey
GXJANKXWWHGAKM-VGOFMYFVSA-N
Compound name
(3E)-3-(2-methoxythioxanthen-9-ylidene)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11874 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.126016 165.4
[M+Na]+ 320.107958 173.1
[M-H]- 296.111464 170.3
[M+NH4]+ 315.152563 183.4
[M+K]+ 336.081898 166.9
[M+H-H2O]+ 280.116000 158.4
[M+HCOO]- 342.116941 181.5
[M+CH3COO]- 356.132591 176.6
[M+Na-2H]- 318.093406 170.4
[M]+ 297.11819142 168.1
[M]- 297.11928858 168.1
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.