CID 344596

4,4'-(piperazine-1,4-diyl)dianiline

Structural Information

Molecular Formula
C16H20N4
SMILES
C1CN(CCN1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H20N4/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12,17-18H2
InChIKey
NRHZAVJNUJCQRL-UHFFFAOYSA-N
Compound name
4-[4-(4-aminophenyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

674
Patents

268.1688 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17608 164.2
[M+Na]+ 291.15802 169.5
[M-H]- 267.16152 169.7
[M+NH4]+ 286.20262 176.4
[M+K]+ 307.13196 163.6
[M+H-H2O]+ 251.16606 153.8
[M+HCOO]- 313.16700 183.1
[M+CH3COO]- 327.18265 173.8
[M+Na-2H]- 289.14347 167.6
[M]+ 268.16825 156.1
[M]- 268.16935 156.1
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

No patent data available for this compound.