CID 89064

9(10h)-acridinone, 4-nitro-1-(phenylthio)-

Structural Information

Molecular Formula
C19H12N2O3S
SMILES
C1=CC=C(C=C1)SC2=C3C(=C(C=C2)[N+](=O)[O-])NC4=CC=CC=C4C3=O
InChI
InChI=1S/C19H12N2O3S/c22-19-13-8-4-5-9-14(13)20-18-15(21(23)24)10-11-16(17(18)19)25-12-6-2-1-3-7-12/h1-11H,(H,20,22)
InChIKey
GXVKCZFAZONQGQ-UHFFFAOYSA-N
Compound name
4-nitro-1-phenylsulfanyl-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

348.05685 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.064126 174.5
[M+Na]+ 371.046068 183.3
[M-H]- 347.049574 180.9
[M+NH4]+ 366.090673 186.9
[M+K]+ 387.020008 171.8
[M+H-H2O]+ 331.054110 169.9
[M+HCOO]- 393.055051 191.2
[M+CH3COO]- 407.070701 203.8
[M+Na-2H]- 369.031516 183.3
[M]+ 348.05630142 175.5
[M]- 348.05739858 175.5
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.