CID 1229964

Vufb-10675

Structural Information

Molecular Formula
C19H20ClNOS
SMILES
CN(C)CC/C=C/1\C2=C(C=C(C=C2)OC)SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNOS/c1-21(2)10-4-5-15-16-8-7-14(22-3)12-19(16)23-18-9-6-13(20)11-17(15)18/h5-9,11-12H,4,10H2,1-3H3/b15-5+
InChIKey
ONOMNQGGUQOEPT-PJQLUOCWSA-N
Compound name
(3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0954 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10268 177.6
[M+Na]+ 368.08462 186.3
[M-H]- 344.08812 183.9
[M+NH4]+ 363.12922 195.4
[M+K]+ 384.05856 180.0
[M+H-H2O]+ 328.09266 171.2
[M+HCOO]- 390.09360 189.2
[M+CH3COO]- 404.10925 217.3
[M+Na-2H]- 366.07007 180.1
[M]+ 345.09485 184.4
[M]- 345.09595 184.4
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.