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

171
Patents

347.1382 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14548 177.3
[M+Na]+ 370.12742 184.4
[M-H]- 346.13092 182.3
[M+NH4]+ 365.17202 188.5
[M+K]+ 386.10136 173.9
[M+H-H2O]+ 330.13546 170.7
[M+HCOO]- 392.13640 199.3
[M+CH3COO]- 406.15205 210.1
[M+Na-2H]- 368.11287 187.6
[M]+ 347.13765 178.0
[M]- 347.13875 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