CID 23443705

Tris(4-ethynylphenyl)amine

Structural Information

Molecular Formula
C24H15N
SMILES
C#CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C#C)C3=CC=C(C=C3)C#C
InChI
InChI=1S/C24H15N/c1-4-19-7-13-22(14-8-19)25(23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h1-3,7-18H
InChIKey
QGICIDGCKPUALM-UHFFFAOYSA-N
Compound name
4-ethynyl-N,N-bis(4-ethynylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

112
Patents

317.12045 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12773 188.4
[M+Na]+ 340.10967 197.7
[M-H]- 316.11317 191.9
[M+NH4]+ 335.15427 193.7
[M+K]+ 356.08361 188.3
[M+H-H2O]+ 300.11771 174.9
[M+HCOO]- 362.11865 191.4
[M+CH3COO]- 376.13430 190.2
[M+Na-2H]- 338.09512 184.6
[M]+ 317.11990 179.4
[M]- 317.12100 179.4
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