CID 389579

Nsc685884

Structural Information

Molecular Formula
C24H19N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2C(C(=O)C3=CC=CC=C3C2=O)N4C=NC5=CC=CC=C54
InChI
InChI=1S/C24H19N3O4S/c1-15-10-12-16(13-11-15)32(30,31)26-21-22(27-14-25-19-8-4-5-9-20(19)27)24(29)18-7-3-2-6-17(18)23(21)28/h2-14,21-22,26H,1H3
InChIKey
YZMFREUHIKGBFH-UHFFFAOYSA-N
Compound name
N-[3-(benzimidazol-1-yl)-1,4-dioxo-2,3-dihydronaphthalen-2-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.10962 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.11690 206.2
[M+Na]+ 468.09884 216.3
[M-H]- 444.10234 215.9
[M+NH4]+ 463.14344 216.3
[M+K]+ 484.07278 209.3
[M+H-H2O]+ 428.10688 196.8
[M+HCOO]- 490.10782 220.3
[M+CH3COO]- 504.12347 215.4
[M+Na-2H]- 466.08429 209.4
[M]+ 445.10907 210.3
[M]- 445.11017 210.3
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.