CID 395402

Nsc699938

Structural Information

Molecular Formula
C17H15NO4S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)(=O)C=C)OC
InChI
InChI=1S/C17H15NO4S/c1-4-23(19,20)17-13-9-11(21-2)5-7-15(13)18-16-8-6-12(22-3)10-14(16)17/h4-10H,1H2,2-3H3
InChIKey
FETZQIOHMSCAJT-UHFFFAOYSA-N
Compound name
9-ethenylsulfonyl-2,7-dimethoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

329.07217 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07945 173.4
[M+Na]+ 352.06139 185.2
[M-H]- 328.06489 178.5
[M+NH4]+ 347.10599 189.1
[M+K]+ 368.03533 180.2
[M+H-H2O]+ 312.06943 166.0
[M+HCOO]- 374.07037 189.5
[M+CH3COO]- 388.08602 207.7
[M+Na-2H]- 350.04684 180.4
[M]+ 329.07162 182.4
[M]- 329.07272 182.4
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.