CID 5270858

1-[4-[(2-methoxyacridin-9-yl)amino]phenyl]sulfonylguanidine

Structural Information

Molecular Formula
C21H19N5O3S
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H19N5O3S/c1-29-14-8-11-19-17(12-14)20(16-4-2-3-5-18(16)25-19)24-13-6-9-15(10-7-13)30(27,28)26-21(22)23/h2-12H,1H3,(H,24,25)(H4,22,23,26)
InChIKey
BXSITVLKRVUCCB-UHFFFAOYSA-N
Compound name
2-[4-[(2-methoxyacridin-9-yl)amino]phenyl]sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12813 193.5
[M+Na]+ 444.11007 201.5
[M-H]- 420.11357 201.1
[M+NH4]+ 439.15467 203.4
[M+K]+ 460.08401 195.7
[M+H-H2O]+ 404.11811 183.8
[M+HCOO]- 466.11905 212.4
[M+CH3COO]- 480.13470 202.7
[M+Na-2H]- 442.09552 202.4
[M]+ 421.12030 196.4
[M]- 421.12140 196.4
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.