CID 2735395

N-(4,6-dimethylpyrimidin-2-yl)-n-methylbenzene-1,4-diamine

Structural Information

Molecular Formula
C13H16N4
SMILES
CC1=CC(=NC(=N1)N(C)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C13H16N4/c1-9-8-10(2)16-13(15-9)17(3)12-6-4-11(14)5-7-12/h4-8H,14H2,1-3H3
InChIKey
AYLAFPRFEFNRSP-UHFFFAOYSA-N
Compound name
4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

228.1375 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 153.3
[M+Na]+ 251.12672 161.8
[M-H]- 227.13022 158.9
[M+NH4]+ 246.17132 168.9
[M+K]+ 267.10066 158.5
[M+H-H2O]+ 211.13476 144.1
[M+HCOO]- 273.13570 177.3
[M+CH3COO]- 287.15135 200.4
[M+Na-2H]- 249.11217 159.0
[M]+ 228.13695 153.2
[M]- 228.13805 153.2
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

patents stripe