CID 2761111

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

Structural Information

Molecular Formula
C14H18N4
SMILES
CCN(C1=CC=C(C=C1)N)C2=NC(=CC(=N2)C)C
InChI
InChI=1S/C14H18N4/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4,15H2,1-3H3
InChIKey
HVCMPZYQDQNWBN-UHFFFAOYSA-N
Compound name
4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.15315 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.16043 157.9
[M+Na]+ 265.14237 165.9
[M-H]- 241.14587 163.3
[M+NH4]+ 260.18697 172.9
[M+K]+ 281.11631 162.3
[M+H-H2O]+ 225.15041 148.4
[M+HCOO]- 287.15135 181.5
[M+CH3COO]- 301.16700 203.4
[M+Na-2H]- 263.12782 163.0
[M]+ 242.15260 158.0
[M]- 242.15370 158.0
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.