CID 135521384

Nsc659679

Structural Information

Molecular Formula
C19H17N3O3S
SMILES
CC(=O)NNC(=S)/N=C/C(=C(\C1=CC=CC=C1)/O)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H17N3O3S/c1-13(23)21-22-19(26)20-12-16(17(24)14-8-4-2-5-9-14)18(25)15-10-6-3-7-11-15/h2-12,24H,1H3,(H,21,23)(H,22,26)/b17-16-,20-12+
InChIKey
WXVMQQKVIQUISB-NMODIAMPSA-N
Compound name
(3E)-1-acetamido-3-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.09906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10634 187.9
[M+Na]+ 390.08828 189.6
[M-H]- 366.09178 193.3
[M+NH4]+ 385.13288 198.5
[M+K]+ 406.06222 185.1
[M+H-H2O]+ 350.09632 178.9
[M+HCOO]- 412.09726 204.7
[M+CH3COO]- 426.11291 218.5
[M+Na-2H]- 388.07373 187.0
[M]+ 367.09851 185.9
[M]- 367.09961 185.9
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.