CID 3054844

71798-49-7

Structural Information

Molecular Formula
C23H21N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCC(=O)N
InChI
InChI=1S/C23H21N3O/c24-22(27)11-5-6-16-12-14-17(15-13-16)25-23-18-7-1-3-9-20(18)26-21-10-4-2-8-19(21)23/h1-4,7-10,12-15H,5-6,11H2,(H2,24,27)(H,25,26)
InChIKey
AQPXGIUIYAOGLH-UHFFFAOYSA-N
Compound name
4-[4-(acridin-9-ylamino)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

355.16846 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17574 184.5
[M+Na]+ 378.15768 191.5
[M-H]- 354.16118 190.8
[M+NH4]+ 373.20228 196.6
[M+K]+ 394.13162 184.2
[M+H-H2O]+ 338.16572 173.9
[M+HCOO]- 400.16666 205.8
[M+CH3COO]- 414.18231 194.0
[M+Na-2H]- 376.14313 191.8
[M]+ 355.16791 184.7
[M]- 355.16901 184.7
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

No patent data available for this compound.