CID 391138

Nsc689864

Structural Information

Molecular Formula
C21H18N6O5S
SMILES
COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)[N+](=O)[O-]
InChI
InChI=1S/C21H18N6O5S/c1-32-18-4-2-3-16-19(15-10-7-13(27(28)29)11-17(15)25-20(16)18)24-12-5-8-14(9-6-12)33(30,31)26-21(22)23/h2-11H,1H3,(H,24,25)(H4,22,23,26)
InChIKey
JSHPTMNRVMYUMR-UHFFFAOYSA-N
Compound name
2-[4-[(5-methoxy-3-nitroacridin-9-yl)amino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.10593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.11321 197.0
[M+Na]+ 489.09515 201.8
[M-H]- 465.09865 204.2
[M+NH4]+ 484.13975 203.3
[M+K]+ 505.06909 193.1
[M+H-H2O]+ 449.10319 190.8
[M+HCOO]- 511.10413 216.0
[M+CH3COO]- 525.11978 237.8
[M+Na-2H]- 487.08060 208.7
[M]+ 466.10538 197.7
[M]- 466.10648 197.7
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.