CID 1250783

2-(3-bromobenzoyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C14H12BrN3OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H12BrN3OS/c15-11-6-4-5-10(9-11)13(19)17-18-14(20)16-12-7-2-1-3-8-12/h1-9H,(H,17,19)(H2,16,18,20)
InChIKey
UAOMZMKPGNWYHM-UHFFFAOYSA-N
Compound name
1-[(3-bromobenzoyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

348.98846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.99574 156.5
[M+Na]+ 371.97768 158.1
[M+NH4]+ 367.02228 160.9
[M+K]+ 387.95162 156.8
[M-H]- 347.98118 160.0
[M+Na-2H]- 369.96313 162.2
[M]+ 348.98791 156.7
[M]- 348.98901 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.