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 161.6
[M+Na]+ 371.97768 169.8
[M-H]- 347.98118 170.2
[M+NH4]+ 367.02228 177.7
[M+K]+ 387.95162 155.9
[M+H-H2O]+ 331.98572 158.9
[M+HCOO]- 393.98666 179.8
[M+CH3COO]- 408.00231 209.8
[M+Na-2H]- 369.96313 167.0
[M]+ 348.98791 178.1
[M]- 348.98901 178.1
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.