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

27
Patents

314.15314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.160416 188.7
[M+Na]+ 337.142358 197.0
[M-H]- 313.145864 194.6
[M+NH4]+ 332.186963 199.4
[M+K]+ 353.116298 188.9
[M+H-H2O]+ 297.150400 173.5
[M+HCOO]- 359.151341 207.4
[M+CH3COO]- 373.166991 196.4
[M+Na-2H]- 335.127806 190.7
[M]+ 314.15259142 177.8
[M]- 314.15368858 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