CID 395400

Nsc699936

Structural Information

Molecular Formula
C22H18N2O5S
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C22H18N2O5S/c1-28-16-7-9-20-18(11-16)22(19-12-17(29-2)8-10-21(19)23-20)30(27)13-14-3-5-15(6-4-14)24(25)26/h3-12H,13H2,1-2H3
InChIKey
CITQWVKNUSPDGX-UHFFFAOYSA-N
Compound name
2,7-dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.09363 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10091 196.3
[M+Na]+ 445.08285 203.5
[M-H]- 421.08635 203.5
[M+NH4]+ 440.12745 205.9
[M+K]+ 461.05679 194.4
[M+H-H2O]+ 405.09089 190.3
[M+HCOO]- 467.09183 212.3
[M+CH3COO]- 481.10748 221.0
[M+Na-2H]- 443.06830 202.7
[M]+ 422.09308 202.1
[M]- 422.09418 202.1
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.