CID 381239

Nsc667644

Structural Information

Molecular Formula
C21H24N4O2
SMILES
C1CCN(CC1)CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C21H24N4O2/c26-25(27)19-11-6-10-18-20(19)21(16-8-2-3-9-17(16)23-18)22-12-7-15-24-13-4-1-5-14-24/h2-3,6,8-11H,1,4-5,7,12-15H2,(H,22,23)
InChIKey
ODBDDMPHYJOJFM-UHFFFAOYSA-N
Compound name
1-nitro-N-(3-piperidin-1-ylpropyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.1899 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 183.2
[M+Na]+ 387.17912 186.6
[M-H]- 363.18262 187.5
[M+NH4]+ 382.22372 192.8
[M+K]+ 403.15306 176.2
[M+H-H2O]+ 347.18716 176.0
[M+HCOO]- 409.18810 200.7
[M+CH3COO]- 423.20375 214.5
[M+Na-2H]- 385.16457 191.9
[M]+ 364.18935 179.1
[M]- 364.19045 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe