CID 6879365

613249-88-0

Structural Information

Molecular Formula
C15H13BrN4OS2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(S3)Br
InChI
InChI=1S/C15H13BrN4OS2/c1-2-21-11-5-3-4-10(8-11)14-18-19-15(22)20(14)17-9-12-6-7-13(16)23-12/h3-9H,2H2,1H3,(H,19,22)/b17-9+
InChIKey
RBQMBEMVQDRVSW-RQZCQDPDSA-N
Compound name
4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.9714 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.97868 170.1
[M+Na]+ 430.96062 174.3
[M+NH4]+ 426.00522 174.1
[M+K]+ 446.93456 173.1
[M-H]- 406.96412 172.9
[M+Na-2H]- 428.94607 174.8
[M]+ 407.97085 171.1
[M]- 407.97195 171.1
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.