CID 3076078

Brn 4757867

Structural Information

Molecular Formula
C16H15N3OS
SMILES
CC1=CC=CC2=C(C3=CC=CC=C3N=C12)SCC(=O)NN
InChI
InChI=1S/C16H15N3OS/c1-10-5-4-7-12-15(10)18-13-8-3-2-6-11(13)16(12)21-9-14(20)19-17/h2-8H,9,17H2,1H3,(H,19,20)
InChIKey
MFJIXNFBJKJYOE-UHFFFAOYSA-N
Compound name
2-(4-methylacridin-9-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0936 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 163.8
[M+Na]+ 320.08282 173.2
[M-H]- 296.08632 167.8
[M+NH4]+ 315.12742 179.9
[M+K]+ 336.05676 167.0
[M+H-H2O]+ 280.09086 156.2
[M+HCOO]- 342.09180 181.4
[M+CH3COO]- 356.10745 175.2
[M+Na-2H]- 318.06827 170.4
[M]+ 297.09305 166.9
[M]- 297.09415 166.9
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.