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]+ 298.12602 165.4
[M+Na]+ 320.10796 173.1
[M-H]- 296.11146 170.3
[M+NH4]+ 315.15256 183.4
[M+K]+ 336.08190 166.9
[M+H-H2O]+ 280.11600 158.4
[M+HCOO]- 342.11694 181.5
[M+CH3COO]- 356.13259 176.6
[M+Na-2H]- 318.09341 170.4
[M]+ 297.11819 168.1
[M]- 297.11929 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.