CID 135408912

219554-76-4

Structural Information

Molecular Formula
C16H13BrN2OS
SMILES
C1=CC=C(C=C1)N=C2NC(=O)C(S2)CC3=CC=C(C=C3)Br
InChI
InChI=1S/C16H13BrN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19-16(21-14)18-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,18,19,20)
InChIKey
VZJMHUKHRBRCNH-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.9932 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.00048 168.0
[M+Na]+ 382.98242 179.3
[M-H]- 358.98592 179.1
[M+NH4]+ 378.02702 185.5
[M+K]+ 398.95636 165.4
[M+H-H2O]+ 342.99046 166.8
[M+HCOO]- 404.99140 184.6
[M+CH3COO]- 419.00705 181.3
[M+Na-2H]- 380.96787 170.3
[M]+ 359.99265 185.5
[M]- 359.99375 185.5
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.