CID 378965

Hydroxy-[3-[(2-methoxy-1-nitro-acridin-9-yl)amino]propyl]-dimethyl-ammonium

Structural Information

Molecular Formula
C19H23N4O4
SMILES
C[N+](C)(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC(=C2[N+](=O)[O-])OC)O
InChI
InChI=1S/C19H23N4O4/c1-23(2,26)12-6-11-20-18-13-7-4-5-8-14(13)21-15-9-10-16(27-3)19(17(15)18)22(24)25/h4-5,7-10,26H,6,11-12H2,1-3H3,(H,20,21)/q+1
InChIKey
MYMFAEUUMNFMLE-UHFFFAOYSA-N
Compound name
hydroxy-[3-[(2-methoxy-1-nitroacridin-9-yl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17922 183.3
[M+Na]+ 394.16116 189.0
[M-H]- 370.16466 187.7
[M+NH4]+ 389.20576 194.6
[M+K]+ 410.13510 175.7
[M+H-H2O]+ 354.16920 181.4
[M+HCOO]- 416.17014 204.6
[M+CH3COO]- 430.18579 212.5
[M+Na-2H]- 392.14661 197.3
[M]+ 371.17139 185.1
[M]- 371.17249 185.1
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

No patent data available for this compound.