CID 383250

Nsc671364

Structural Information

Molecular Formula
C25H16N4S
SMILES
C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC4=NC5=CC=CC6=C5C(=CC=C6)N24
InChI
InChI=1S/C25H16N4S/c1-3-11-18(12-4-1)26-23-24(27-19-13-5-2-6-14-19)30-25-28-20-15-7-9-17-10-8-16-21(22(17)20)29(23)25/h1-16H
InChIKey
DXLHLMAHDYNHRB-UHFFFAOYSA-N
Compound name
9-N,10-N-diphenyl-[1,3]thiazolo[3,2-a]perimidine-9,10-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.10956 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11684 191.4
[M+Na]+ 427.09878 200.5
[M-H]- 403.10228 202.4
[M+NH4]+ 422.14338 205.2
[M+K]+ 443.07272 192.0
[M+H-H2O]+ 387.10682 180.2
[M+HCOO]- 449.10776 208.5
[M+CH3COO]- 463.12341 201.3
[M+Na-2H]- 425.08423 197.6
[M]+ 404.10901 193.3
[M]- 404.11011 193.3
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.