CID 326363

2,2,2-tris(4-aminophenyl)acetonitrile

Structural Information

Molecular Formula
C20H18N4
SMILES
C1=CC(=CC=C1C(C#N)(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)N
InChI
InChI=1S/C20H18N4/c21-13-20(14-1-7-17(22)8-2-14,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,22-24H2
InChIKey
CREJIZMWIBUNAF-UHFFFAOYSA-N
Compound name
2,2,2-tris(4-aminophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

314.15314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16042 188.7
[M+Na]+ 337.14236 197.0
[M-H]- 313.14586 194.6
[M+NH4]+ 332.18696 199.4
[M+K]+ 353.11630 188.9
[M+H-H2O]+ 297.15040 173.5
[M+HCOO]- 359.15134 207.4
[M+CH3COO]- 373.16699 196.4
[M+Na-2H]- 335.12781 190.7
[M]+ 314.15259 177.8
[M]- 314.15369 177.8
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

patents stripe