CID 214513

Bis(1,1-dimethyl-4,4-diphenyl-3-butenyl)thiazolo(5,4-d)thiazole

Structural Information

Molecular Formula
C40H38N2S2
SMILES
CC(C)(CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=NC4=C(S3)N=C(S4)C(C)(C)CC=C(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C40H38N2S2/c1-39(2,27-25-33(29-17-9-5-10-18-29)30-19-11-6-12-20-30)37-41-35-36(43-37)42-38(44-35)40(3,4)28-26-34(31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-26H,27-28H2,1-4H3
InChIKey
RDPNCLYHBGSYOH-UHFFFAOYSA-N
Compound name
2,5-bis(2-methyl-5,5-diphenylpent-4-en-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.2476 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.25488 243.4
[M+Na]+ 633.23682 259.1
[M+NH4]+ 628.28142 251.4
[M+K]+ 649.21076 247.7
[M-H]- 609.24032 253.1
[M+Na-2H]- 631.22227 256.2
[M]+ 610.24705 249.9
[M]- 610.24815 249.9
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.