CID 3044037

Ppb (n-p-tolyl)

Structural Information

Molecular Formula
C13H20N6
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=N)N=C(N)N
InChI
InChI=1S/C13H20N6/c1-10-2-4-11(5-3-10)18-6-8-19(9-7-18)13(16)17-12(14)15/h2-5H,6-9H2,1H3,(H5,14,15,16,17)
InChIKey
VWPMPKCKKPDBBI-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-4-(4-methylphenyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18224 161.5
[M+Na]+ 283.16418 169.3
[M+NH4]+ 278.20878 167.6
[M+K]+ 299.13812 164.7
[M-H]- 259.16768 165.6
[M+Na-2H]- 281.14963 166.9
[M]+ 260.17441 163.1
[M]- 260.17551 163.1
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.