CID 3734221

Nsc689872

Structural Information

Molecular Formula
C20H16N4O3
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4
InChI
InChI=1S/C20H16N4O3/c1-27-15-8-10-18-17(12-15)20(23-22-13-5-3-2-4-6-13)16-9-7-14(24(25)26)11-19(16)21-18/h2-12,22H,1H3,(H,21,23)
InChIKey
WGFIQRJRSMXFIZ-UHFFFAOYSA-N
Compound name
1-(2-methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12225 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12953 177.6
[M+Na]+ 383.11147 184.1
[M-H]- 359.11497 185.0
[M+NH4]+ 378.15607 188.8
[M+K]+ 399.08541 174.7
[M+H-H2O]+ 343.11951 171.2
[M+HCOO]- 405.12045 202.0
[M+CH3COO]- 419.13610 216.1
[M+Na-2H]- 381.09692 189.8
[M]+ 360.12170 178.2
[M]- 360.12280 178.2
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.