CID 371142

Nsc645146

Structural Information

Molecular Formula
C19H11ClN2O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)Cl)SC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H11ClN2O2S/c20-12-5-10-16-18(11-12)21-17-4-2-1-3-15(17)19(16)25-14-8-6-13(7-9-14)22(23)24/h1-11H
InChIKey
ITVFUNZOVAQBNJ-UHFFFAOYSA-N
Compound name
3-chloro-9-(4-nitrophenyl)sulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.02298 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03026 178.9
[M+Na]+ 389.01220 188.4
[M-H]- 365.01570 186.1
[M+NH4]+ 384.05680 192.2
[M+K]+ 404.98614 176.8
[M+H-H2O]+ 349.02024 174.8
[M+HCOO]- 411.02118 192.1
[M+CH3COO]- 425.03683 208.5
[M+Na-2H]- 386.99765 187.0
[M]+ 366.02243 183.2
[M]- 366.02353 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.