CID 47483

2-(p-(9-acridinylamino)phenyl)acetamide methanesulfonate

Structural Information

Molecular Formula
C21H17N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CC(=O)N
InChI
InChI=1S/C21H17N3O/c22-20(25)13-14-9-11-15(12-10-14)23-21-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)21/h1-12H,13H2,(H2,22,25)(H,23,24)
InChIKey
BUGQOWLKDVVUTA-UHFFFAOYSA-N
Compound name
2-[4-(acridin-9-ylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.13718 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 175.5
[M+Na]+ 350.12640 183.5
[M-H]- 326.12990 182.2
[M+NH4]+ 345.17100 188.8
[M+K]+ 366.10034 176.6
[M+H-H2O]+ 310.13444 165.4
[M+HCOO]- 372.13538 197.6
[M+CH3COO]- 386.15103 186.0
[M+Na-2H]- 348.11185 183.9
[M]+ 327.13663 175.2
[M]- 327.13773 175.2
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.