CID 203483

Brn 0622071

Structural Information

Molecular Formula
C15H17ClN4
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)C3=C(C=NC=C3)N
InChI
InChI=1S/C15H17ClN4/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)15-5-6-18-11-14(15)17/h1-6,11H,7-10,17H2
InChIKey
PBGLRVQTMUYVLJ-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.11417 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12145 167.8
[M+Na]+ 311.10339 174.9
[M-H]- 287.10689 172.0
[M+NH4]+ 306.14799 179.1
[M+K]+ 327.07733 167.8
[M+H-H2O]+ 271.11143 156.9
[M+HCOO]- 333.11237 180.4
[M+CH3COO]- 347.12802 177.2
[M+Na-2H]- 309.08884 171.5
[M]+ 288.11362 163.4
[M]- 288.11472 163.4
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.