CID 6510065

Urea, (2,6-dimethylphenyl)(4-methyl-2h-1,4-benzothiazin-3(4h)-ylidene)-

Structural Information

Molecular Formula
C18H19N3OS
SMILES
CC1=C(C(=CC=C1)C)NC(=O)/N=C\2/CSC3=CC=CC=C3N2C
InChI
InChI=1S/C18H19N3OS/c1-12-7-6-8-13(2)17(12)20-18(22)19-16-11-23-15-10-5-4-9-14(15)21(16)3/h4-10H,11H2,1-3H3,(H,20,22)/b19-16-
InChIKey
WTTOFEYIWIBJDK-MNDPQUGUSA-N
Compound name
(3Z)-1-(2,6-dimethylphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.12488 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.132156 175.0
[M+Na]+ 348.114098 182.3
[M-H]- 324.117604 182.3
[M+NH4]+ 343.158703 189.8
[M+K]+ 364.088038 176.8
[M+H-H2O]+ 308.122140 166.2
[M+HCOO]- 370.123081 191.6
[M+CH3COO]- 384.138731 185.6
[M+Na-2H]- 346.099546 177.5
[M]+ 325.12433142 175.5
[M]- 325.12542858 175.5
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.