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]+ 261.182236 162.4
[M+Na]+ 283.164178 165.7
[M-H]- 259.167684 166.2
[M+NH4]+ 278.208783 175.1
[M+K]+ 299.138118 162.4
[M+H-H2O]+ 243.172220 152.6
[M+HCOO]- 305.173161 183.0
[M+CH3COO]- 319.188811 207.5
[M+Na-2H]- 281.149626 164.7
[M]+ 260.17441142 153.1
[M]- 260.17550858 153.1
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.