CID 5270853

1-[4-[(6-chloro-2-methoxy-acridin-9-yl)amino]phenyl]sulfonylguanidine

Structural Information

Molecular Formula
C21H18ClN5O3S
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H18ClN5O3S/c1-30-14-5-9-18-17(11-14)20(16-8-2-12(22)10-19(16)26-18)25-13-3-6-15(7-4-13)31(28,29)27-21(23)24/h2-11H,1H3,(H,25,26)(H4,23,24,27)
InChIKey
CVDKZBUOTQJWED-UHFFFAOYSA-N
Compound name
2-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.08188 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.08916 201.6
[M+Na]+ 478.07110 211.0
[M-H]- 454.07460 209.5
[M+NH4]+ 473.11570 211.4
[M+K]+ 494.04504 204.3
[M+H-H2O]+ 438.07914 193.0
[M+HCOO]- 500.08008 216.1
[M+CH3COO]- 514.09573 210.7
[M+Na-2H]- 476.05655 209.3
[M]+ 455.08133 207.5
[M]- 455.08243 207.5
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.