CID 151602

59988-01-1

Structural Information

Molecular Formula
C22H21N3O3S
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C22H21N3O3S/c1-3-29(26,27)25-15-12-13-20(21(14-15)28-2)24-22-16-8-4-6-10-18(16)23-19-11-7-5-9-17(19)22/h4-14,25H,3H2,1-2H3,(H,23,24)
InChIKey
SPMXAUDSAYVFOR-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

13
Patents

407.13037 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13765 194.0
[M+Na]+ 430.11959 209.5
[M+NH4]+ 425.16419 201.8
[M+K]+ 446.09353 198.9
[M-H]- 406.12309 199.9
[M+Na-2H]- 428.10504 203.4
[M]+ 407.12982 198.6
[M]- 407.13092 198.6
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

patents stripe