CID 154969

Brn 5316269

Structural Information

Molecular Formula
C22H18N4O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C#N
InChI
InChI=1S/C22H18N4O3S/c1-29-20-12-15(26-30(2,27)28)10-11-19(20)25-22-16-7-3-4-9-18(16)24-21-14(13-23)6-5-8-17(21)22/h3-12,26H,1-2H3,(H,24,25)
InChIKey
RSMCOVBYBBQLRV-UHFFFAOYSA-N
Compound name
N-[4-[(4-cyanoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

418.10995 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.117226 211.5
[M+Na]+ 441.099168 223.1
[M-H]- 417.102674 216.8
[M+NH4]+ 436.143773 220.7
[M+K]+ 457.073108 214.5
[M+H-H2O]+ 401.107210 195.8
[M+HCOO]- 463.108151 224.5
[M+CH3COO]- 477.123801 218.7
[M+Na-2H]- 439.084616 216.8
[M]+ 418.10940142 211.1
[M]- 418.11049858 211.1
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.