CID 9588023

Brn 1601561

Structural Information

Molecular Formula
C17H15Cl2N3OS
SMILES
C/C(=N/NC(=O)N)/C1=CC2=C(C=C1)SC3=C(C2CCl)C=C(C=C3)Cl
InChI
InChI=1S/C17H15Cl2N3OS/c1-9(21-22-17(20)23)10-2-4-15-12(6-10)14(8-18)13-7-11(19)3-5-16(13)24-15/h2-7,14H,8H2,1H3,(H3,20,22,23)/b21-9-
InChIKey
OKVAZDQDQXGYIS-NKVSQWTQSA-N
Compound name
[(Z)-1-[7-chloro-9-(chloromethyl)-9H-thioxanthen-2-yl]ethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.03128 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.03856 182.5
[M+Na]+ 402.02050 195.4
[M+NH4]+ 397.06510 191.8
[M+K]+ 417.99444 184.8
[M-H]- 378.02400 187.5
[M+Na-2H]- 400.00595 188.0
[M]+ 379.03073 186.8
[M]- 379.03183 186.8
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.