CID 3076071

Brn 4757852

Structural Information

Molecular Formula
C15H12ClN3OS
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)Cl)SCC(=O)NN
InChI
InChI=1S/C15H12ClN3OS/c16-9-5-6-11-13(7-9)18-12-4-2-1-3-10(12)15(11)21-8-14(20)19-17/h1-7H,8,17H2,(H,19,20)
InChIKey
MDBXDPZUCQQYEC-UHFFFAOYSA-N
Compound name
2-(3-chloroacridin-9-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.03897 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04625 165.0
[M+Na]+ 340.02819 175.6
[M-H]- 316.03169 169.1
[M+NH4]+ 335.07279 181.3
[M+K]+ 356.00213 168.3
[M+H-H2O]+ 300.03623 158.6
[M+HCOO]- 362.03717 178.5
[M+CH3COO]- 376.05282 176.5
[M+Na-2H]- 338.01364 171.8
[M]+ 317.03842 170.1
[M]- 317.03952 170.1
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.