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 174.7
[M+Na]+ 319.18932 179.5
[M-H]- 295.19282 178.9
[M+NH4]+ 314.23392 184.7
[M+K]+ 335.16326 173.7
[M+H-H2O]+ 279.19736 163.2
[M+HCOO]- 341.19830 190.0
[M+CH3COO]- 355.21395 183.2
[M+Na-2H]- 317.17477 176.3
[M]+ 296.19955 168.6
[M]- 296.20065 168.6
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.