CID 19616646

1006682-81-0

Structural Information

Molecular Formula
C12H16N4
SMILES
CN1C=C(C=N1)CN(C)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H16N4/c1-15(8-10-7-14-16(2)9-10)12-5-3-11(13)4-6-12/h3-7,9H,8,13H2,1-2H3
InChIKey
WAMLJZGQJTUBMC-UHFFFAOYSA-N
Compound name
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 149.1
[M+Na]+ 239.12672 161.0
[M+NH4]+ 234.17132 157.2
[M+K]+ 255.10066 156.6
[M-H]- 215.13022 153.3
[M+Na-2H]- 237.11217 157.3
[M]+ 216.13695 151.8
[M]- 216.13805 151.8
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.