CID 3076074

Brn 4760913

Structural Information

Molecular Formula
C17H17N3O2S
SMILES
CCOC1=CC2=C(C3=CC=CC=C3N=C2C=C1)SCC(=O)NN
InChI
InChI=1S/C17H17N3O2S/c1-2-22-11-7-8-15-13(9-11)17(23-10-16(21)20-18)12-5-3-4-6-14(12)19-15/h3-9H,2,10,18H2,1H3,(H,20,21)
InChIKey
UTYPCHGGBVYWOG-UHFFFAOYSA-N
Compound name
2-(2-ethoxyacridin-9-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10416 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11144 171.3
[M+Na]+ 350.09338 179.9
[M-H]- 326.09688 175.0
[M+NH4]+ 345.13798 186.1
[M+K]+ 366.06732 174.2
[M+H-H2O]+ 310.10142 163.3
[M+HCOO]- 372.10236 188.8
[M+CH3COO]- 386.11801 182.0
[M+Na-2H]- 348.07883 177.6
[M]+ 327.10361 176.1
[M]- 327.10471 176.1
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.