CID 132459

9-(2-(2-nitro-1-imidazolyl)ethylamino)acridine

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

50
Patents

333.1226 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.129876 172.7
[M+Na]+ 356.111818 180.3
[M-H]- 332.115324 177.9
[M+NH4]+ 351.156423 184.5
[M+K]+ 372.085758 170.0
[M+H-H2O]+ 316.119860 166.3
[M+HCOO]- 378.120801 195.0
[M+CH3COO]- 392.136451 207.1
[M+Na-2H]- 354.097266 183.5
[M]+ 333.12205142 173.1
[M]- 333.12314858 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