CID 380151

Nsc665554

Structural Information

Molecular Formula
C20H16N4O2
SMILES
C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCC4=CC=CC=N4
InChI
InChI=1S/C20H16N4O2/c25-24(26)18-10-5-9-17-19(18)20(15-7-1-2-8-16(15)23-17)22-13-11-14-6-3-4-12-21-14/h1-10,12H,11,13H2,(H,22,23)
InChIKey
NVJHYTRBILSDNR-UHFFFAOYSA-N
Compound name
1-nitro-N-(2-pyridin-2-ylethyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12732 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 176.9
[M+Na]+ 367.11654 183.7
[M-H]- 343.12004 182.6
[M+NH4]+ 362.16114 187.6
[M+K]+ 383.09048 173.0
[M+H-H2O]+ 327.12458 169.9
[M+HCOO]- 389.12552 198.9
[M+CH3COO]- 403.14117 210.6
[M+Na-2H]- 365.10199 189.1
[M]+ 344.12677 176.7
[M]- 344.12787 176.7
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.