CID 6481726

9-ethylsulfanyl-1-nitro-acridine

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
CCSC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O2S/c1-2-20-15-10-6-3-4-7-11(10)16-12-8-5-9-13(14(12)15)17(18)19/h3-9H,2H2,1H3
InChIKey
PKAYXWNEVOSMEO-UHFFFAOYSA-N
Compound name
9-ethylsulfanyl-1-nitroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06195 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06923 158.5
[M+Na]+ 307.05117 167.8
[M-H]- 283.05467 163.1
[M+NH4]+ 302.09577 174.9
[M+K]+ 323.02511 158.2
[M+H-H2O]+ 267.05921 155.3
[M+HCOO]- 329.06015 176.6
[M+CH3COO]- 343.07580 195.7
[M+Na-2H]- 305.03662 167.5
[M]+ 284.06140 161.6
[M]- 284.06250 161.6
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.