CID 148614

53221-88-8

Structural Information

Molecular Formula
C22H21N3O2S
SMILES
CCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C22H21N3O2S/c1-2-15-28(26,27)25-17-13-11-16(12-14-17)23-22-18-7-3-5-9-20(18)24-21-10-6-4-8-19(21)22/h3-14,25H,2,15H2,1H3,(H,23,24)
InChIKey
SCVDOAPVVHAFGJ-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)phenyl]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

391.13544 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14272 189.6
[M+Na]+ 414.12466 198.1
[M-H]- 390.12816 196.5
[M+NH4]+ 409.16926 201.3
[M+K]+ 430.09860 190.7
[M+H-H2O]+ 374.13270 180.0
[M+HCOO]- 436.13364 206.8
[M+CH3COO]- 450.14929 199.2
[M+Na-2H]- 412.11011 198.8
[M]+ 391.13489 193.6
[M]- 391.13599 193.6
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

No patent data available for this compound.