CID 148798

Sn 16507

Structural Information

Molecular Formula
C21H18BrN3O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)Br
InChI
InChI=1S/C21H18BrN3O3S/c1-28-20-12-14(25-29(2,26)27)8-10-18(20)24-21-15-5-3-4-6-17(15)23-19-11-13(22)7-9-16(19)21/h3-12,25H,1-2H3,(H,23,24)
InChIKey
OMWDRBUUMHVGEL-UHFFFAOYSA-N
Compound name
N-[4-[(3-bromoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

471.02524 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.03252 191.6
[M+Na]+ 494.01446 203.5
[M-H]- 470.01796 201.2
[M+NH4]+ 489.05906 204.2
[M+K]+ 509.98840 190.2
[M+H-H2O]+ 454.02250 188.6
[M+HCOO]- 516.02344 206.8
[M+CH3COO]- 530.03909 203.1
[M+Na-2H]- 491.99991 201.1
[M]+ 471.02469 215.3
[M]- 471.02579 215.3
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.