CID 720868

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

Structural Information

Molecular Formula
C16H17N3OS
SMILES
C1=CC=C(C=C1)CCC(=O)NNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C16H17N3OS/c20-15(12-11-13-7-3-1-4-8-13)18-19-16(21)17-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20)(H2,17,19,21)
InChIKey
NZPYNDOQXYPPQD-UHFFFAOYSA-N
Compound name
1-phenyl-3-(3-phenylpropanoylamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.10922 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11650 168.2
[M+Na]+ 322.09844 171.8
[M-H]- 298.10194 174.0
[M+NH4]+ 317.14304 182.3
[M+K]+ 338.07238 166.5
[M+H-H2O]+ 282.10648 159.6
[M+HCOO]- 344.10742 188.3
[M+CH3COO]- 358.12307 206.1
[M+Na-2H]- 320.08389 171.8
[M]+ 299.10867 166.5
[M]- 299.10977 166.5
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.