CID 3076073

Acetic acid, (9-acridinylthio)-, hydrazide

Structural Information

Molecular Formula
C15H13N3OS
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCC(=O)NN
InChI
InChI=1S/C15H13N3OS/c16-18-14(19)9-20-15-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)15/h1-8H,9,16H2,(H,18,19)
InChIKey
SZIFEWAZAJDYNH-UHFFFAOYSA-N
Compound name
2-acridin-9-ylsulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07794 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.085216 158.4
[M+Na]+ 306.067158 167.4
[M-H]- 282.070664 162.2
[M+NH4]+ 301.111763 174.8
[M+K]+ 322.041098 161.4
[M+H-H2O]+ 266.075200 150.8
[M+HCOO]- 328.076141 176.4
[M+CH3COO]- 342.091791 169.9
[M+Na-2H]- 304.052606 166.3
[M]+ 283.07739142 160.8
[M]- 283.07848858 160.8
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.