CID 3000582

2-(2-aminoanilino)-n-phenyl-2-thioxo-acetamide

Structural Information

Molecular Formula
C14H13N3OS
SMILES
C1=CC=C(C=C1)NC(=O)C(=S)NC2=CC=CC=C2N
InChI
InChI=1S/C14H13N3OS/c15-11-8-4-5-9-12(11)17-14(19)13(18)16-10-6-2-1-3-7-10/h1-9H,15H2,(H,16,18)(H,17,19)
InChIKey
WNRMNXDFDKTPRN-UHFFFAOYSA-N
Compound name
2-(2-aminoanilino)-N-phenyl-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07794 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 160.2
[M+Na]+ 294.06716 165.5
[M-H]- 270.07066 166.3
[M+NH4]+ 289.11176 175.4
[M+K]+ 310.04110 160.3
[M+H-H2O]+ 254.07520 152.2
[M+HCOO]- 316.07614 180.2
[M+CH3COO]- 330.09179 201.4
[M+Na-2H]- 292.05261 163.0
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.