CID 102510553

2,4,6-tris(4-ethynylphenyl)-1,3,5-triazine

Structural Information

Molecular Formula
C27H15N3
SMILES
C#CC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C
InChI
InChI=1S/C27H15N3/c1-4-19-7-13-22(14-8-19)25-28-26(23-15-9-20(5-2)10-16-23)30-27(29-25)24-17-11-21(6-3)12-18-24/h1-3,7-18H
InChIKey
SSAOTGYMADTRMZ-UHFFFAOYSA-N
Compound name
2,4,6-tris(4-ethynylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

381.1266 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.13388 187.4
[M+Na]+ 404.11582 196.1
[M-H]- 380.11932 187.8
[M+NH4]+ 399.16042 189.0
[M+K]+ 420.08976 185.9
[M+H-H2O]+ 364.12386 171.5
[M+HCOO]- 426.12480 187.5
[M+CH3COO]- 440.14045 187.7
[M+Na-2H]- 402.10127 183.4
[M]+ 381.12605 177.4
[M]- 381.12715 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe