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]+ 328.111436 171.3
[M+Na]+ 350.093378 179.9
[M-H]- 326.096884 175.0
[M+NH4]+ 345.137983 186.1
[M+K]+ 366.067318 174.2
[M+H-H2O]+ 310.101420 163.3
[M+HCOO]- 372.102361 188.8
[M+CH3COO]- 386.118011 182.0
[M+Na-2H]- 348.078826 177.6
[M]+ 327.10361142 176.1
[M]- 327.10470858 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.