CID 203485

14549-73-6

Structural Information

Molecular Formula
C16H21N5
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=NC=C3N)N
InChI
InChI=1S/C16H21N5/c1-12-2-4-13(5-3-12)20-6-8-21(9-7-20)16-14(17)10-19-11-15(16)18/h2-5,10-11H,6-9,17-18H2,1H3
InChIKey
SRCHGEWLPQAGEZ-UHFFFAOYSA-N
Compound name
4-[4-(4-methylphenyl)piperazin-1-yl]pyridine-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1797 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18698 169.2
[M+Na]+ 306.16892 182.6
[M+NH4]+ 301.21352 176.6
[M+K]+ 322.14286 175.3
[M-H]- 282.17242 175.3
[M+Na-2H]- 304.15437 177.9
[M]+ 283.17915 172.7
[M]- 283.18025 172.7
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.