CID 98559

78070-04-9

Structural Information

Molecular Formula
C17H22N4
SMILES
CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=NC=C3)N
InChI
InChI=1S/C17H22N4/c1-13-4-3-5-15(10-13)21-9-8-20(12-14(21)2)17-6-7-19-11-16(17)18/h3-7,10-11,14H,8-9,12,18H2,1-2H3
InChIKey
ASZXDEJRHOXVSW-UHFFFAOYSA-N
Compound name
4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.18445 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19173 171.3
[M+Na]+ 305.17367 177.9
[M-H]- 281.17717 176.1
[M+NH4]+ 300.21827 182.4
[M+K]+ 321.14761 171.8
[M+H-H2O]+ 265.18171 160.1
[M+HCOO]- 327.18265 188.0
[M+CH3COO]- 341.19830 180.7
[M+Na-2H]- 303.15912 173.7
[M]+ 282.18390 165.9
[M]- 282.18500 165.9
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.