CID 364443

Acridoguanidine

Structural Information

Molecular Formula
C21H17N5O4S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C21H17N5O4S/c22-21(23)26-31(29,30)13-10-8-12(9-11-13)24-20(28)16-6-3-5-15-18(16)25-17-7-2-1-4-14(17)19(15)27/h1-11H,(H,24,28)(H,25,27)(H4,22,23,26)
InChIKey
RSGQPVTWCUZOBU-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-oxo-10H-acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.10013 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10741 195.2
[M+Na]+ 458.08935 202.4
[M-H]- 434.09285 201.4
[M+NH4]+ 453.13395 203.4
[M+K]+ 474.06329 196.4
[M+H-H2O]+ 418.09739 186.0
[M+HCOO]- 480.09833 212.0
[M+CH3COO]- 494.11398 235.5
[M+Na-2H]- 456.07480 203.1
[M]+ 435.09958 195.7
[M]- 435.10068 195.7
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.