CID 6510064

Brn 5614429

Structural Information

Molecular Formula
C16H13Cl2N3OS
SMILES
CN1/C(=N\C(=O)NC2=CC(=C(C=C2)Cl)Cl)/CSC3=CC=CC=C31
InChI
InChI=1S/C16H13Cl2N3OS/c1-21-13-4-2-3-5-14(13)23-9-15(21)20-16(22)19-10-6-7-11(17)12(18)8-10/h2-8H,9H2,1H3,(H,19,22)/b20-15-
InChIKey
VOQOFCQQQLXHNR-HKWRFOASSA-N
Compound name
(3Z)-1-(3,4-dichlorophenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.01562 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02290 179.4
[M+Na]+ 388.00484 194.4
[M+NH4]+ 383.04944 188.7
[M+K]+ 403.97878 183.0
[M-H]- 364.00834 185.3
[M+Na-2H]- 385.99029 187.3
[M]+ 365.01507 184.3
[M]- 365.01617 184.3
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.