CID 154959

Brn 5314293

Structural Information

Molecular Formula
C21H18IN3O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)I
InChI
InChI=1S/C21H18IN3O3S/c1-28-20-12-14(25-29(2,26)27)8-10-19(20)24-21-15-5-3-4-6-17(15)23-18-9-7-13(22)11-16(18)21/h3-12,25H,1-2H3,(H,23,24)
InChIKey
GJMRKFBOQXQBOD-UHFFFAOYSA-N
Compound name
N-[4-[(2-iodoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

519.01135 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.01863 204.3
[M+Na]+ 542.00057 206.7
[M-H]- 518.00407 204.1
[M+NH4]+ 537.04517 210.7
[M+K]+ 557.97451 206.3
[M+H-H2O]+ 502.00861 191.0
[M+HCOO]- 564.00955 216.4
[M+CH3COO]- 578.02520 209.5
[M+Na-2H]- 539.98602 200.7
[M]+ 519.01080 206.8
[M]- 519.01190 206.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.