CID 6447977

4-(4-(2-phenylethenyl)phenyl)thiosemicarbazide

Structural Information

Molecular Formula
C15H15N3S
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)NC(=S)NN
InChI
InChI=1S/C15H15N3S/c16-18-15(19)17-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,16H2,(H2,17,18,19)/b7-6+
InChIKey
LOHQYUPRRFGEPO-VOTSOKGWSA-N
Compound name
1-amino-3-[4-[(E)-2-phenylethenyl]phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.09866 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10594 160.2
[M+Na]+ 292.08788 165.6
[M-H]- 268.09138 166.0
[M+NH4]+ 287.13248 175.7
[M+K]+ 308.06182 159.0
[M+H-H2O]+ 252.09592 152.1
[M+HCOO]- 314.09686 180.7
[M+CH3COO]- 328.11251 201.4
[M+Na-2H]- 290.07333 163.5
[M]+ 269.09811 156.8
[M]- 269.09921 156.8
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.