CID 5029873

N-benzyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide

Structural Information

Molecular Formula
C17H19N3OS
SMILES
C1=CC=C(C=C1)CCC(=O)NNC(=S)NCC2=CC=CC=C2
InChI
InChI=1S/C17H19N3OS/c21-16(12-11-14-7-3-1-4-8-14)19-20-17(22)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,21)(H2,18,20,22)
InChIKey
YVVSJPWCKARBAE-UHFFFAOYSA-N
Compound name
1-benzyl-3-(3-phenylpropanoylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.12488 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13216 173.2
[M+Na]+ 336.11410 183.0
[M+NH4]+ 331.15870 180.7
[M+K]+ 352.08804 173.8
[M-H]- 312.11760 178.6
[M+Na-2H]- 334.09955 181.3
[M]+ 313.12433 176.3
[M]- 313.12543 176.3
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

patents stripe