CID 47508

Acetanilide, 4'-(9-acridinylamino)-

Structural Information

Molecular Formula
C21H17N3O
SMILES
CC(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H17N3O/c1-14(25)22-15-10-12-16(13-11-15)23-21-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKey
OSHKKYSYOUUOFF-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

3
Patents

327.13718 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 175.2
[M+Na]+ 350.12640 183.3
[M-H]- 326.12990 182.5
[M+NH4]+ 345.17100 188.9
[M+K]+ 366.10034 176.6
[M+H-H2O]+ 310.13444 165.1
[M+HCOO]- 372.13538 197.9
[M+CH3COO]- 386.15103 185.9
[M+Na-2H]- 348.11185 184.6
[M]+ 327.13663 175.7
[M]- 327.13773 175.7
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