CID 381241

Nsc667645

Structural Information

Molecular Formula
C21H24N4O3
SMILES
C1CC[N+](CC1)(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-]
InChI
InChI=1S/C21H24N4O3/c26-24(27)19-11-6-10-18-20(19)21(16-8-2-3-9-17(16)23-18)22-12-7-15-25(28)13-4-1-5-14-25/h2-3,6,8-11H,1,4-5,7,12-15H2,(H,22,23)
InChIKey
MNOFJJRPIHDPDC-UHFFFAOYSA-N
Compound name
1-nitro-N-[3-(1-oxidopiperidin-1-ium-1-yl)propyl]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.18484 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 186.6
[M+Na]+ 403.17406 189.0
[M-H]- 379.17756 189.5
[M+NH4]+ 398.21866 196.0
[M+K]+ 419.14800 174.2
[M+H-H2O]+ 363.18210 183.7
[M+HCOO]- 425.18304 202.2
[M+CH3COO]- 439.19869 207.2
[M+Na-2H]- 401.15951 197.4
[M]+ 380.18429 179.8
[M]- 380.18539 179.8
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

No patent data available for this compound.