CID 21678925

78525-34-5

Structural Information

Molecular Formula
C26H24N4
SMILES
C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N
InChI
InChI=1S/C26H24N4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H,27-30H2
InChIKey
JGUVAGVIFMBVCK-UHFFFAOYSA-N
Compound name
4-[1,2,2-tris(4-aminophenyl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

392.2001 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20738 197.0
[M+Na]+ 415.18932 201.0
[M-H]- 391.19282 207.4
[M+NH4]+ 410.23392 205.1
[M+K]+ 431.16326 193.2
[M+H-H2O]+ 375.19736 186.2
[M+HCOO]- 437.19830 219.3
[M+CH3COO]- 451.21395 204.7
[M+Na-2H]- 413.17477 196.7
[M]+ 392.19955 188.4
[M]- 392.20065 188.4
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