CID 5142005

Nsc689874

Structural Information

Molecular Formula
C20H15N5O5
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H15N5O5/c1-30-15-7-9-18-17(11-15)20(16-8-6-14(25(28)29)10-19(16)21-18)23-22-12-2-4-13(5-3-12)24(26)27/h2-11,22H,1H3,(H,21,23)
InChIKey
LLXIGXZMMNBPFW-UHFFFAOYSA-N
Compound name
1-(2-methoxy-6-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

405.10733 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11461 185.5
[M+Na]+ 428.09655 189.4
[M-H]- 404.10005 192.4
[M+NH4]+ 423.14115 193.0
[M+K]+ 444.07049 177.0
[M+H-H2O]+ 388.10459 182.7
[M+HCOO]- 450.10553 209.2
[M+CH3COO]- 464.12118 219.1
[M+Na-2H]- 426.08200 198.7
[M]+ 405.10678 184.3
[M]- 405.10788 184.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.