CID 488715

9-(4-nitrophenylthio)acridine-3-ylamine

Structural Information

Molecular Formula
C19H13N3O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H13N3O2S/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,20H2
InChIKey
CRDFMGODSFXMKG-UHFFFAOYSA-N
Compound name
9-(4-nitrophenyl)sulfanylacridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.07285 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08013 174.0
[M+Na]+ 370.06207 182.3
[M-H]- 346.06557 180.9
[M+NH4]+ 365.10667 186.6
[M+K]+ 386.03601 171.1
[M+H-H2O]+ 330.07011 169.0
[M+HCOO]- 392.07105 192.1
[M+CH3COO]- 406.08670 209.0
[M+Na-2H]- 368.04752 182.9
[M]+ 347.07230 174.5
[M]- 347.07340 174.5
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.