CID 385748

Nsc677142

Structural Information

Molecular Formula
C28H25N9O5S2
SMILES
C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C28H25N9O5S2/c29-27(30)36-43(39,40)19-10-6-17(7-11-19)33-25-21-3-1-2-4-23(21)35-24-14-5-16(15-22(24)25)26(38)34-18-8-12-20(13-9-18)44(41,42)37-28(31)32/h1-15H,(H,33,35)(H,34,38)(H4,29,30,36)(H4,31,32,37)
InChIKey
MJRGSCANZGBDIF-UHFFFAOYSA-N
Compound name
9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-(diaminomethylideneamino)sulfonylphenyl]acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

631.142 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.14928 244.8
[M+Na]+ 654.13122 255.1
[M-H]- 630.13472 245.8
[M+NH4]+ 649.17582 250.7
[M+K]+ 670.10516 248.3
[M+H-H2O]+ 614.13926 227.4
[M+HCOO]- 676.14020 251.9
[M+CH3COO]- 690.15585 281.7
[M+Na-2H]- 652.11667 273.0
[M]+ 631.14145 293.0
[M]- 631.14255 293.0
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.