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]+ 419.11723 211.5
[M+Na]+ 441.09917 223.1
[M-H]- 417.10267 216.8
[M+NH4]+ 436.14377 220.7
[M+K]+ 457.07311 214.5
[M+H-H2O]+ 401.10721 195.8
[M+HCOO]- 463.10815 224.5
[M+CH3COO]- 477.12380 218.7
[M+Na-2H]- 439.08462 216.8
[M]+ 418.10940 211.1
[M]- 418.11050 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.