CID 465353

N-pyrimidin-2-yl-2-[[2-(pyrimidin-2-ylcarbamoyl)phenyl]disulfanyl]benzamide

Structural Information

Molecular Formula
C22H16N6O2S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC=CC=N2)SSC3=CC=CC=C3C(=O)NC4=NC=CC=N4
InChI
InChI=1S/C22H16N6O2S2/c29-19(27-21-23-11-5-12-24-21)15-7-1-3-9-17(15)31-32-18-10-4-2-8-16(18)20(30)28-22-25-13-6-14-26-22/h1-14H,(H,23,24,27,29)(H,25,26,28,30)
InChIKey
UFUATVHUESQNEF-UHFFFAOYSA-N
Compound name
N-pyrimidin-2-yl-2-[[2-(pyrimidin-2-ylcarbamoyl)phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.0776 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.08488 198.5
[M+Na]+ 483.06682 205.0
[M-H]- 459.07032 205.0
[M+NH4]+ 478.11142 200.7
[M+K]+ 499.04076 195.2
[M+H-H2O]+ 443.07486 187.3
[M+HCOO]- 505.07580 208.3
[M+CH3COO]- 519.09145 204.9
[M+Na-2H]- 481.05227 203.5
[M]+ 460.07705 199.1
[M]- 460.07815 199.1
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.