CID 3047988

N 770

Structural Information

Molecular Formula
C18H17Cl2NS
SMILES
CN(C)CCC=C1C2=C(C=CC(=C2)Cl)SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H17Cl2NS/c1-21(2)9-3-4-14-15-10-12(19)5-7-17(15)22-18-8-6-13(20)11-16(14)18/h4-8,10-11H,3,9H2,1-2H3
InChIKey
NQHKWOIQZXWQPI-UHFFFAOYSA-N
Compound name
3-(2,7-dichlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.04587 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05315 175.7
[M+Na]+ 372.03509 185.4
[M-H]- 348.03859 181.5
[M+NH4]+ 367.07969 193.9
[M+K]+ 388.00903 177.8
[M+H-H2O]+ 332.04313 170.6
[M+HCOO]- 394.04407 182.5
[M+CH3COO]- 408.05972 186.7
[M+Na-2H]- 370.02054 177.8
[M]+ 349.04532 182.0
[M]- 349.04642 182.0
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.