CID 3060375

Brn 4525880

Structural Information

Molecular Formula
C16H19ClN4
SMILES
CC1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=NC=C3)N
InChI
InChI=1S/C16H19ClN4/c1-12-11-20(16-5-6-19-10-15(16)18)7-8-21(12)14-4-2-3-13(17)9-14/h2-6,9-10,12H,7-8,11,18H2,1H3
InChIKey
VAKPLIJWJBZKLT-UHFFFAOYSA-N
Compound name
4-[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12982 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13710 173.1
[M+Na]+ 325.11904 180.7
[M-H]- 301.12254 177.6
[M+NH4]+ 320.16364 184.2
[M+K]+ 341.09298 173.4
[M+H-H2O]+ 285.12708 162.3
[M+HCOO]- 347.12802 185.3
[M+CH3COO]- 361.14367 182.4
[M+Na-2H]- 323.10449 175.5
[M]+ 302.12927 169.5
[M]- 302.13037 169.5
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.