CID 3079747

Brn 4760274

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)SCC(=O)NN
InChI
InChI=1S/C16H15N3O2S/c1-21-10-6-7-14-12(8-10)16(22-9-15(20)19-17)11-4-2-3-5-13(11)18-14/h2-8H,9,17H2,1H3,(H,19,20)
InChIKey
GAEVJAWMAJSEPT-UHFFFAOYSA-N
Compound name
2-(2-methoxyacridin-9-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0885 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09578 167.0
[M+Na]+ 336.07772 176.0
[M-H]- 312.08122 170.8
[M+NH4]+ 331.12232 182.3
[M+K]+ 352.05166 170.5
[M+H-H2O]+ 296.08576 159.1
[M+HCOO]- 358.08670 184.7
[M+CH3COO]- 372.10235 178.1
[M+Na-2H]- 334.06317 173.8
[M]+ 313.08795 171.4
[M]- 313.08905 171.4
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.