CID 40674

53221-90-2

Structural Information

Molecular Formula
C23H23N3O2S
SMILES
CCCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C23H23N3O2S/c1-2-3-16-29(27,28)26-18-14-12-17(13-15-18)24-23-19-8-4-6-10-21(19)25-22-11-7-5-9-20(22)23/h4-15,26H,2-3,16H2,1H3,(H,24,25)
InChIKey
OANPGUJBWMJAIJ-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)phenyl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

405.1511 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15838 193.8
[M+Na]+ 428.14032 201.8
[M-H]- 404.14382 200.5
[M+NH4]+ 423.18492 204.9
[M+K]+ 444.11426 194.2
[M+H-H2O]+ 388.14836 184.1
[M+HCOO]- 450.14930 210.7
[M+CH3COO]- 464.16495 203.0
[M+Na-2H]- 426.12577 202.6
[M]+ 405.15055 198.1
[M]- 405.15165 198.1
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.