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

1134
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

literature stripe

Patent stripe

patents stripe