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 170.5
[M+Na]+ 306.16892 176.7
[M-H]- 282.17242 175.0
[M+NH4]+ 301.21352 180.9
[M+K]+ 322.14286 170.5
[M+H-H2O]+ 266.17696 159.4
[M+HCOO]- 328.17790 187.9
[M+CH3COO]- 342.19355 179.6
[M+Na-2H]- 304.15437 173.1
[M]+ 283.17915 163.2
[M]- 283.18025 163.2
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.