CID 199391

4117-90-2

Structural Information

Molecular Formula
C18H17N3
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H17N3/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H,19-20H2
InChIKey
YFBMJEBQWQBRQJ-UHFFFAOYSA-N
Compound name
4-N-(4-aminophenyl)-4-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2222
Patents

275.14224 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14952 166.9
[M+Na]+ 298.13146 181.5
[M+NH4]+ 293.17606 176.4
[M+K]+ 314.10540 172.7
[M-H]- 274.13496 176.5
[M+Na-2H]- 296.11691 179.4
[M]+ 275.14169 171.8
[M]- 275.14279 171.8
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