CID 132288

Nla 1

Structural Information

Molecular Formula
C19H17N5O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCN4C=CN=C4[N+](=O)[O-]
InChI
InChI=1S/C19H17N5O2/c25-24(26)19-21-11-13-23(19)12-5-10-20-18-14-6-1-3-8-16(14)22-17-9-4-2-7-15(17)18/h1-4,6-9,11,13H,5,10,12H2,(H,20,22)
InChIKey
PHPQZPFHBMMUGX-UHFFFAOYSA-N
Compound name
N-[3-(2-nitroimidazol-1-yl)propyl]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

216
Patents

347.1382 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.145476 177.3
[M+Na]+ 370.127418 184.4
[M-H]- 346.130924 182.3
[M+NH4]+ 365.172023 188.5
[M+K]+ 386.101358 173.9
[M+H-H2O]+ 330.135460 170.7
[M+HCOO]- 392.136401 199.3
[M+CH3COO]- 406.152051 210.1
[M+Na-2H]- 368.112866 187.6
[M]+ 347.13765142 178.0
[M]- 347.13874858 178.0
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