CID 123838

Nuclear yellow

Structural Information

Molecular Formula
C25H25N7O2S
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)S(=O)(=O)N
InChI
InChI=1S/C25H25N7O2S/c1-31-10-12-32(13-11-31)18-5-9-21-23(15-18)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-6-19(7-3-16)35(26,33)34/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30)(H2,26,33,34)
InChIKey
CSUDUNKPOSIFJZ-UHFFFAOYSA-N
Compound name
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

89
References

1628
Patents

487.17905 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.18633 210.4
[M+Na]+ 510.16827 225.4
[M+NH4]+ 505.21287 215.5
[M+K]+ 526.14221 220.8
[M-H]- 486.17177 215.3
[M+Na-2H]- 508.15372 218.2
[M]+ 487.17850 214.3
[M]- 487.17960 214.3
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

patents stripe