CID 3047454

Brn 1045035

Structural Information

Molecular Formula
C17H16BrN3O2S2
SMILES
C1C(OC(=S)N1)COC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C17H16BrN3O2S2/c18-11-1-3-12(4-2-11)20-16(24)21-13-5-7-14(8-6-13)22-10-15-9-19-17(25)23-15/h1-8,15H,9-10H2,(H,19,25)(H2,20,21,24)
InChIKey
UYDUECMKSIQKKT-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-[4-[(2-sulfanylidene-1,3-oxazolidin-5-yl)methoxy]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.98672 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.99400 175.7
[M+Na]+ 459.97594 185.2
[M-H]- 435.97944 185.2
[M+NH4]+ 455.02054 188.2
[M+K]+ 475.94988 170.6
[M+H-H2O]+ 419.98398 174.6
[M+HCOO]- 481.98492 185.1
[M+CH3COO]- 496.00057 186.7
[M+Na-2H]- 457.96139 177.7
[M]+ 436.98617 193.0
[M]- 436.98727 193.0
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.