CID 41877

2-ethoxy-6-nitro-9-(4-pyridylmethyl)acridine methyliodide

Structural Information

Molecular Formula
C22H20N3O3
SMILES
CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=C2C=C1)C)CC4=CC=NC=C4
InChI
InChI=1S/C22H20N3O3/c1-3-28-17-5-7-21-20(14-17)19(12-15-8-10-23-11-9-15)18-6-4-16(25(26)27)13-22(18)24(21)2/h4-11,13-14H,3,12H2,1-2H3/q+1
InChIKey
SZVPERBLJGPQCX-UHFFFAOYSA-N
Compound name
2-ethoxy-10-methyl-6-nitro-9-(pyridin-4-ylmethyl)acridin-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.15045 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15773 194.8
[M+Na]+ 397.13967 202.3
[M-H]- 373.14317 201.0
[M+NH4]+ 392.18427 204.3
[M+K]+ 413.11361 186.6
[M+H-H2O]+ 357.14771 189.9
[M+HCOO]- 419.14865 214.0
[M+CH3COO]- 433.16430 209.8
[M+Na-2H]- 395.12512 205.2
[M]+ 374.14990 196.3
[M]- 374.15100 196.3
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.