CID 20612855

4-ethynyltriphenylamine

Structural Information

Molecular Formula
C20H15N
SMILES
C#CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H15N/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h1,3-16H
InChIKey
QDYFCLVSLUZDHB-UHFFFAOYSA-N
Compound name
4-ethynyl-N,N-diphenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

184
Patents

269.12045 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12773 171.1
[M+Na]+ 292.10967 180.2
[M-H]- 268.11317 178.0
[M+NH4]+ 287.15427 184.7
[M+K]+ 308.08361 171.3
[M+H-H2O]+ 252.11771 155.9
[M+HCOO]- 314.11865 189.7
[M+CH3COO]- 328.13430 180.7
[M+Na-2H]- 290.09512 175.0
[M]+ 269.11990 163.9
[M]- 269.12100 163.9
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