CID 2854805

Stk805577

Structural Information

Molecular Formula
C21H21N3O2
SMILES
C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)N
InChI
InChI=1S/C21H21N3O2/c22-14-8-10-15(11-9-14)23-18-19(24-12-4-1-5-13-24)21(26)17-7-3-2-6-16(17)20(18)25/h2-3,6-11,23H,1,4-5,12-13,22H2
InChIKey
LBRAFDBKAUADGR-UHFFFAOYSA-N
Compound name
2-(4-aminoanilino)-3-piperidin-1-ylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.1634 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 182.3
[M+Na]+ 370.15262 187.6
[M-H]- 346.15612 190.2
[M+NH4]+ 365.19722 193.5
[M+K]+ 386.12656 181.2
[M+H-H2O]+ 330.16066 171.5
[M+HCOO]- 392.16160 200.2
[M+CH3COO]- 406.17725 191.1
[M+Na-2H]- 368.13807 184.7
[M]+ 347.16285 175.7
[M]- 347.16395 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

No patent data available for this compound.