CID 149244

Propionamide, 3-(p-(9-acridinylamino)phenyl)-, methanesulfonate

Structural Information

Molecular Formula
C22H19N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCC(=O)N
InChI
InChI=1S/C22H19N3O/c23-21(26)14-11-15-9-12-16(13-10-15)24-22-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)22/h1-10,12-13H,11,14H2,(H2,23,26)(H,24,25)
InChIKey
YDAXTCGACADAPH-UHFFFAOYSA-N
Compound name
3-[4-(acridin-9-ylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

341.1528 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.160076 180.0
[M+Na]+ 364.142018 187.6
[M-H]- 340.145524 186.5
[M+NH4]+ 359.186623 192.7
[M+K]+ 380.115958 180.4
[M+H-H2O]+ 324.150060 169.7
[M+HCOO]- 386.151001 201.7
[M+CH3COO]- 400.166651 190.0
[M+Na-2H]- 362.127466 187.9
[M]+ 341.15225142 180.0
[M]- 341.15334858 180.0
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.