CID 395401

Nsc699937

Structural Information

Molecular Formula
C22H18N2O6S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C22H18N2O6S/c1-29-16-7-9-20-18(11-16)22(19-12-17(30-2)8-10-21(19)23-20)31(27,28)13-14-3-5-15(6-4-14)24(25)26/h3-12H,13H2,1-2H3
InChIKey
NLVWEJNTBSZBHX-UHFFFAOYSA-N
Compound name
2,7-dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.08856 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09584 201.1
[M+Na]+ 461.07778 208.8
[M-H]- 437.08128 208.6
[M+NH4]+ 456.12238 210.0
[M+K]+ 477.05172 199.9
[M+H-H2O]+ 421.08582 195.2
[M+HCOO]- 483.08676 216.9
[M+CH3COO]- 497.10241 222.0
[M+Na-2H]- 459.06323 210.2
[M]+ 438.08801 207.5
[M]- 438.08911 207.5
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.