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 178.7
[M+Na]+ 388.00484 187.7
[M-H]- 364.00834 185.5
[M+NH4]+ 383.04944 193.2
[M+K]+ 403.97878 180.5
[M+H-H2O]+ 348.01288 171.9
[M+HCOO]- 410.01382 186.4
[M+CH3COO]- 424.02947 188.9
[M+Na-2H]- 385.99029 181.0
[M]+ 365.01507 182.0
[M]- 365.01617 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.