CID 19616646

N1-methyl-n1-[(1-methyl-1h-pyrazol-4-yl)methyl]benzene-1,4-diamine

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 148.7
[M+Na]+ 239.12672 156.4
[M-H]- 215.13022 154.2
[M+NH4]+ 234.17132 166.3
[M+K]+ 255.10066 153.8
[M+H-H2O]+ 199.13476 139.7
[M+HCOO]- 261.13570 173.9
[M+CH3COO]- 275.15135 196.1
[M+Na-2H]- 237.11217 153.1
[M]+ 216.13695 148.6
[M]- 216.13805 148.6
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.