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 162.4
[M+Na]+ 283.16418 165.7
[M-H]- 259.16768 166.2
[M+NH4]+ 278.20878 175.1
[M+K]+ 299.13812 162.4
[M+H-H2O]+ 243.17222 152.6
[M+HCOO]- 305.17316 183.0
[M+CH3COO]- 319.18881 207.5
[M+Na-2H]- 281.14963 164.7
[M]+ 260.17441 153.1
[M]- 260.17551 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.