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

7
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 148.1
[M+Na]+ 238.09509 157.6
[M-H]- 214.09859 152.4
[M+NH4]+ 233.13969 163.8
[M+K]+ 254.06903 153.8
[M+H-H2O]+ 198.10313 139.4
[M+HCOO]- 260.10407 171.1
[M+CH3COO]- 274.11972 191.1
[M+Na-2H]- 236.08054 154.5
[M]+ 215.10532 148.4
[M]- 215.10642 148.4
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