CID 10221065

4-[4-(4-aminophenyl)piperazin-1-yl]phenol

Structural Information

Molecular Formula
C16H19N3O
SMILES
C1CN(CCN1C2=CC=C(C=C2)N)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H19N3O/c17-13-1-3-14(4-2-13)18-9-11-19(12-10-18)15-5-7-16(20)8-6-15/h1-8,20H,9-12,17H2
InChIKey
WZIJMPVPOMTRNM-UHFFFAOYSA-N
Compound name
4-[4-(4-aminophenyl)piperazin-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

269.1528 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 164.2
[M+Na]+ 292.14202 169.6
[M-H]- 268.14552 168.8
[M+NH4]+ 287.18662 176.1
[M+K]+ 308.11596 163.9
[M+H-H2O]+ 252.15006 154.1
[M+HCOO]- 314.15100 181.3
[M+CH3COO]- 328.16665 173.7
[M+Na-2H]- 290.12747 167.5
[M]+ 269.15225 157.1
[M]- 269.15335 157.1
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