CID 44558590

31408-47-6

Structural Information

Molecular Formula
C11H11N3O
SMILES
COC1=CC=C(C=C1)C2=CN=C(N=C2)N
InChI
InChI=1S/C11H11N3O/c1-15-10-4-2-8(3-5-10)9-6-13-11(12)14-7-9/h2-7H,1H3,(H2,12,13,14)
InChIKey
PKSSRSRVRREPTQ-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

201.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 143.1
[M+Na]+ 224.079428 152.1
[M-H]- 200.082934 147.2
[M+NH4]+ 219.124033 159.1
[M+K]+ 240.053368 148.5
[M+H-H2O]+ 184.087470 134.4
[M+HCOO]- 246.088411 166.5
[M+CH3COO]- 260.104061 186.9
[M+Na-2H]- 222.064876 150.9
[M]+ 201.08966142 142.6
[M]- 201.09075858 142.6
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

patents stripe