CID 149296

Brn 0454375

Structural Information

Molecular Formula
C21H20N4O2S
SMILES
CNC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)NS(=O)(=O)C
InChI
InChI=1S/C21H20N4O2S/c1-22-16-11-12-18-20(13-16)24-19-6-4-3-5-17(19)21(18)23-14-7-9-15(10-8-14)25-28(2,26)27/h3-13,22,25H,1-2H3,(H,23,24)
InChIKey
WSIDMACYGUCWEA-UHFFFAOYSA-N
Compound name
N-[4-[[3-(methylamino)acridin-9-yl]amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

392.1307 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13798 187.9
[M+Na]+ 415.11992 196.8
[M-H]- 391.12342 195.2
[M+NH4]+ 410.16452 199.5
[M+K]+ 431.09386 189.7
[M+H-H2O]+ 375.12796 178.5
[M+HCOO]- 437.12890 206.3
[M+CH3COO]- 451.14455 197.8
[M+Na-2H]- 413.10537 198.0
[M]+ 392.13015 191.5
[M]- 392.13125 191.5
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.