CID 58709675

4-ethyl-5-phenylpyrimidin-2-amine

Structural Information

Molecular Formula
C12H13N3
SMILES
CCC1=NC(=NC=C1C2=CC=CC=C2)N
InChI
InChI=1S/C12H13N3/c1-2-11-10(8-14-12(13)15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKey
OZMWQNXKYWHOAK-UHFFFAOYSA-N
Compound name
4-ethyl-5-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 144.4
[M+Na]+ 222.10017 153.1
[M-H]- 198.10367 148.3
[M+NH4]+ 217.14477 160.6
[M+K]+ 238.07411 148.7
[M+H-H2O]+ 182.10821 135.8
[M+HCOO]- 244.10915 167.3
[M+CH3COO]- 258.12480 157.0
[M+Na-2H]- 220.08562 151.7
[M]+ 199.11040 142.9
[M]- 199.11150 142.9
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