CID 132459

Nla 2

Structural Information

Molecular Formula
C18H15N5O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCN4C=CN=C4[N+](=O)[O-]
InChI
InChI=1S/C18H15N5O2/c24-23(25)18-20-10-12-22(18)11-9-19-17-13-5-1-3-7-15(13)21-16-8-4-2-6-14(16)17/h1-8,10,12H,9,11H2,(H,19,21)
InChIKey
FOPLVLLZUWYEIW-UHFFFAOYSA-N
Compound name
N-[2-(2-nitroimidazol-1-yl)ethyl]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

333.1226 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12988 173.4
[M+Na]+ 356.11182 189.8
[M+NH4]+ 351.15642 181.3
[M+K]+ 372.08576 185.6
[M-H]- 332.11532 179.3
[M+Na-2H]- 354.09727 182.3
[M]+ 333.12205 177.4
[M]- 333.12315 177.4
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