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]+ 216.113146 148.1
[M+Na]+ 238.095088 157.6
[M-H]- 214.098594 152.4
[M+NH4]+ 233.139693 163.8
[M+K]+ 254.069028 153.8
[M+H-H2O]+ 198.103130 139.4
[M+HCOO]- 260.104071 171.1
[M+CH3COO]- 274.119721 191.1
[M+Na-2H]- 236.080536 154.5
[M]+ 215.10532142 148.4
[M]- 215.10641858 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