CID 767037

4-[(4,6-dimethylpyrimidin-2-yl)oxy]aniline

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC(=NC(=N1)OC2=CC=C(C=C2)N)C
InChI
InChI=1S/C12H13N3O/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
InChIKey
TWQPYTHNDVDCLI-UHFFFAOYSA-N
Compound name
4-(4,6-dimethylpyrimidin-2-yl)oxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.10587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.8
[M+Na]+ 238.09509 162.8
[M+NH4]+ 233.13969 155.9
[M+K]+ 254.06903 155.7
[M-H]- 214.09859 152.0
[M+Na-2H]- 236.08054 157.2
[M]+ 215.10532 151.1
[M]- 215.10642 151.1
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