CID 3076077

Brn 4757874

Structural Information

Molecular Formula
C16H15N3OS
SMILES
CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)SCC(=O)NN
InChI
InChI=1S/C16H15N3OS/c1-10-6-7-14-12(8-10)16(21-9-15(20)19-17)11-4-2-3-5-13(11)18-14/h2-8H,9,17H2,1H3,(H,19,20)
InChIKey
JOJXTAUVOLYDSE-UHFFFAOYSA-N
Compound name
2-(2-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 164.7
[M+Na]+ 320.08282 178.8
[M+NH4]+ 315.12742 173.8
[M+K]+ 336.05676 168.9
[M-H]- 296.08632 169.3
[M+Na-2H]- 318.06827 172.0
[M]+ 297.09305 168.5
[M]- 297.09415 168.5
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.