CID 6434265

Brn 0820111

Structural Information

Molecular Formula
C17H13BrN2OS
SMILES
CC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13BrN2OS/c1-11-4-2-3-5-12(11)10-15-16(21)20(17(22)19-15)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,22)/b15-10-
InChIKey
WRPZZSHZTXPAMR-GDNBJRDFSA-N
Compound name
(5Z)-3-(4-bromophenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.9932 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.00048 171.2
[M+Na]+ 394.98242 184.5
[M-H]- 370.98592 180.5
[M+NH4]+ 390.02702 187.2
[M+K]+ 410.95636 169.2
[M+H-H2O]+ 354.99046 170.6
[M+HCOO]- 416.99140 184.2
[M+CH3COO]- 431.00705 184.2
[M+Na-2H]- 392.96787 170.8
[M]+ 371.99265 188.7
[M]- 371.99375 188.7
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.