CID 116473

N,n'-diacetylphenosafranine chloride

Structural Information

Molecular Formula
C22H19N4O2
SMILES
CC(=O)NC1=CC2=C(C=C1)[N+](=C3C=CC(=CC3=N2)NC(=O)C)C4=CC=CC=C4
InChI
InChI=1S/C22H18N4O2/c1-14(27)23-16-8-10-21-19(12-16)25-20-13-17(24-15(2)28)9-11-22(20)26(21)18-6-4-3-5-7-18/h3-13H,1-2H3,(H-,23,24,25,27,28)/p+1
InChIKey
NFUYLTMACHHUBC-UHFFFAOYSA-O
Compound name
N-(8-acetamido-5-phenylphenazin-5-ium-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1508 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15808 190.1
[M+Na]+ 394.14002 197.7
[M-H]- 370.14352 196.5
[M+NH4]+ 389.18462 200.2
[M+K]+ 410.11396 186.0
[M+H-H2O]+ 354.14806 181.6
[M+HCOO]- 416.14900 209.9
[M+CH3COO]- 430.16465 217.1
[M+Na-2H]- 392.12547 199.6
[M]+ 371.15025 190.6
[M]- 371.15135 190.6
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.