CID 368261

Nsc638716

Structural Information

Molecular Formula
C25H19N5OS2
SMILES
CC1=CC=C(C=C1)N=NC2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)SC=N5)C
InChI
InChI=1S/C25H19N5OS2/c1-16-8-10-18(11-9-16)27-28-23-17(2)29(20-12-13-22-21(14-20)26-15-33-22)25(32)30(24(23)31)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKey
SNBVBIKTJSOCHA-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-5-yl)-6-methyl-5-[(4-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.1031 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.11038 213.5
[M+Na]+ 492.09232 227.4
[M-H]- 468.09582 227.1
[M+NH4]+ 487.13692 222.6
[M+K]+ 508.06626 217.0
[M+H-H2O]+ 452.10036 203.0
[M+HCOO]- 514.10130 230.1
[M+CH3COO]- 528.11695 223.7
[M+Na-2H]- 490.07777 215.1
[M]+ 469.10255 220.8
[M]- 469.10365 220.8
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.