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 172.7
[M+Na]+ 356.11182 180.3
[M-H]- 332.11532 177.9
[M+NH4]+ 351.15642 184.5
[M+K]+ 372.08576 170.0
[M+H-H2O]+ 316.11986 166.3
[M+HCOO]- 378.12080 195.0
[M+CH3COO]- 392.13645 207.1
[M+Na-2H]- 354.09727 183.5
[M]+ 333.12205 173.1
[M]- 333.12315 173.1
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