CID 98552

Brn 4537551

Structural Information

Molecular Formula
C15H16Cl2N4
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C3=C(C=NC=C3)N
InChI
InChI=1S/C15H16Cl2N4/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)15-3-4-19-10-14(15)18/h1-4,9-10H,5-8,18H2
InChIKey
IEGZBBYTQVVRKA-UHFFFAOYSA-N
Compound name
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0752 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08248 173.8
[M+Na]+ 345.06442 182.0
[M-H]- 321.06792 177.4
[M+NH4]+ 340.10902 184.5
[M+K]+ 361.03836 174.1
[M+H-H2O]+ 305.07246 163.3
[M+HCOO]- 367.07340 181.2
[M+CH3COO]- 381.08905 182.7
[M+Na-2H]- 343.04987 175.9
[M]+ 322.07465 171.0
[M]- 322.07575 171.0
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.