CID 377471

10-hydroxy-n-[3-(2-nitroimidazol-1-yl)propyl]acridin-10-ium-9-amine

Structural Information

Molecular Formula
C19H18N5O3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2O)NCCCN4C=CN=C4[N+](=O)[O-]
InChI
InChI=1S/C19H17N5O3/c25-23-16-8-3-1-6-14(16)18(15-7-2-4-9-17(15)23)20-10-5-12-22-13-11-21-19(22)24(26)27/h1-4,6-9,11,13,25H,5,10,12H2/p+1
InChIKey
ORPVTAYEOJNJHV-UHFFFAOYSA-O
Compound name
10-hydroxy-N-[3-(2-nitroimidazol-1-yl)propyl]acridin-10-ium-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.14096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14824 183.2
[M+Na]+ 387.13018 189.7
[M-H]- 363.13368 187.5
[M+NH4]+ 382.17478 192.6
[M+K]+ 403.10412 173.9
[M+H-H2O]+ 347.13822 179.5
[M+HCOO]- 409.13916 203.0
[M+CH3COO]- 423.15481 204.5
[M+Na-2H]- 385.11563 195.0
[M]+ 364.14041 182.5
[M]- 364.14151 182.5
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

No patent data available for this compound.