CID 2735442

4-benzhydryl-3-thiosemicarbazide

Structural Information

Molecular Formula
C14H15N3S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NN
InChI
InChI=1S/C14H15N3S/c15-17-14(18)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H2,16,17,18)
InChIKey
BPZRVDYOCCVVPL-UHFFFAOYSA-N
Compound name
1-amino-3-benzhydrylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.09866 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 157.1
[M+Na]+ 280.08788 167.6
[M+NH4]+ 275.13248 165.8
[M+K]+ 296.06182 159.0
[M-H]- 256.09138 163.2
[M+Na-2H]- 278.07333 166.1
[M]+ 257.09811 160.6
[M]- 257.09921 160.6
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