CID 735919

13153-01-0

Structural Information

Molecular Formula
C14H13N3OS
SMILES
C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C14H13N3OS/c18-13(11-7-3-1-4-8-11)16-17-14(19)15-12-9-5-2-6-10-12/h1-10H,(H,16,18)(H2,15,17,19)
InChIKey
YFIKTVJZVZMIMY-UHFFFAOYSA-N
Compound name
1-benzamido-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

7
Patents

271.07794 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 159.7
[M+Na]+ 294.06716 164.2
[M-H]- 270.07066 165.9
[M+NH4]+ 289.11176 175.0
[M+K]+ 310.04110 159.3
[M+H-H2O]+ 254.07520 151.5
[M+HCOO]- 316.07614 180.4
[M+CH3COO]- 330.09179 200.1
[M+Na-2H]- 292.05261 164.2
[M]+ 271.07739 157.3
[M]- 271.07849 157.3
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

patents stripe