CID 3076075

Brn 4763812

Structural Information

Molecular Formula
C15H12N4O3S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])SCC(=O)NN
InChI
InChI=1S/C15H12N4O3S/c16-18-14(20)8-23-15-10-3-1-2-4-12(10)17-13-7-9(19(21)22)5-6-11(13)15/h1-7H,8,16H2,(H,18,20)
InChIKey
WSHKVGRCBNDCEE-UHFFFAOYSA-N
Compound name
2-(3-nitroacridin-9-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.06302 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07030 165.0
[M+Na]+ 351.05224 178.6
[M+NH4]+ 346.09684 172.9
[M+K]+ 367.02618 172.7
[M-H]- 327.05574 170.0
[M+Na-2H]- 349.03769 171.8
[M]+ 328.06247 168.6
[M]- 328.06357 168.6
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.