CID 3060369

Brn 4533009

Structural Information

Molecular Formula
C18H24N4
SMILES
CC(C)C1=CC(=CC=C1)N2CCN(CC2)C3=C(C=NC=C3)N
InChI
InChI=1S/C18H24N4/c1-14(2)15-4-3-5-16(12-15)21-8-10-22(11-9-21)18-6-7-20-13-17(18)19/h3-7,12-14H,8-11,19H2,1-2H3
InChIKey
XEQPXVYWGBUSQX-UHFFFAOYSA-N
Compound name
4-[4-(3-propan-2-ylphenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.2001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20738 174.1
[M+Na]+ 319.18932 187.9
[M+NH4]+ 314.23392 181.7
[M+K]+ 335.16326 180.1
[M-H]- 295.19282 179.8
[M+Na-2H]- 317.17477 183.0
[M]+ 296.19955 177.6
[M]- 296.20065 177.6
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.