CID 3060367

78069-75-7

Structural Information

Molecular Formula
C16H20N4
SMILES
CC1CN(CCN1C2=CC=CC=C2)C3=C(C=NC=C3)N
InChI
InChI=1S/C16H20N4/c1-13-12-19(16-7-8-18-11-15(16)17)9-10-20(13)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12,17H2,1H3
InChIKey
CWQOHGLPHMAPIR-UHFFFAOYSA-N
Compound name
4-(3-methyl-4-phenylpiperazin-1-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1688 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.176076 166.1
[M+Na]+ 291.158018 172.1
[M-H]- 267.161524 170.6
[M+NH4]+ 286.202623 177.4
[M+K]+ 307.131958 166.2
[M+H-H2O]+ 251.166060 154.8
[M+HCOO]- 313.167001 183.0
[M+CH3COO]- 327.182651 175.6
[M+Na-2H]- 289.143466 169.8
[M]+ 268.16825142 159.9
[M]- 268.16934858 159.9
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.