CID 385761

Nsc677155

Structural Information

Molecular Formula
C31H26N8O6S2
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C31H26N8O6S2/c1-18-16-28(37-45-18)38-46(41,42)22-13-9-21(10-14-22)35-30(40)19-6-15-27-25(17-19)29(24-4-2-3-5-26(24)36-27)34-20-7-11-23(12-8-20)47(43,44)39-31(32)33/h2-17H,1H3,(H,34,36)(H,35,40)(H,37,38)(H4,32,33,39)
InChIKey
YUOBYFORPDHBTG-UHFFFAOYSA-N
Compound name
9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

670.14166 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.14894 252.5
[M+Na]+ 693.13088 264.2
[M-H]- 669.13438 253.5
[M+NH4]+ 688.17548 258.6
[M+K]+ 709.10482 257.6
[M+H-H2O]+ 653.13892 231.7
[M+HCOO]- 715.13986 259.6
[M+CH3COO]- 729.15551 262.7
[M+Na-2H]- 691.11633 272.2
[M]+ 670.14111 297.4
[M]- 670.14221 297.4
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.