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
2
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]+ 349.06413 174.5
[M+Na]+ 371.04607 183.3
[M-H]- 347.04957 180.9
[M+NH4]+ 366.09067 186.9
[M+K]+ 387.02001 171.8
[M+H-H2O]+ 331.05411 169.9
[M+HCOO]- 393.05505 191.2
[M+CH3COO]- 407.07070 203.8
[M+Na-2H]- 369.03152 183.3
[M]+ 348.05630 175.5
[M]- 348.05740 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.