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]+ 284.08522 158.4
[M+Na]+ 306.06716 167.4
[M-H]- 282.07066 162.2
[M+NH4]+ 301.11176 174.8
[M+K]+ 322.04110 161.4
[M+H-H2O]+ 266.07520 150.8
[M+HCOO]- 328.07614 176.4
[M+CH3COO]- 342.09179 169.9
[M+Na-2H]- 304.05261 166.3
[M]+ 283.07739 160.8
[M]- 283.07849 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.