CID 504035

Schembl9593587

Structural Information

Molecular Formula
C12H14N4
SMILES
CCN(C1=CC=CC=C1)C2=NC(=NC=C2)N
InChI
InChI=1S/C12H14N4/c1-2-16(10-6-4-3-5-7-10)11-8-9-14-12(13)15-11/h3-9H,2H2,1H3,(H2,13,14,15)
InChIKey
FFUKQFIRIUQWLU-UHFFFAOYSA-N
Compound name
4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.12184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12912 147.6
[M+Na]+ 237.11106 154.6
[M-H]- 213.11456 152.6
[M+NH4]+ 232.15566 163.1
[M+K]+ 253.08500 151.5
[M+H-H2O]+ 197.11910 138.1
[M+HCOO]- 259.12004 172.0
[M+CH3COO]- 273.13569 195.0
[M+Na-2H]- 235.09651 155.5
[M]+ 214.12129 146.3
[M]- 214.12239 146.3
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.