CID 702623

81261-83-8

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC(=NC(=N1)NC2=CC(=CC=C2)O)C
InChI
InChI=1S/C12H13N3O/c1-8-6-9(2)14-12(13-8)15-10-4-3-5-11(16)7-10/h3-7,16H,1-2H3,(H,13,14,15)
InChIKey
HLDRMBWIBILLLN-UHFFFAOYSA-N
Compound name
3-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 148.0
[M+Na]+ 238.095088 157.0
[M-H]- 214.098594 151.4
[M+NH4]+ 233.139693 163.3
[M+K]+ 254.069028 152.7
[M+H-H2O]+ 198.103130 139.6
[M+HCOO]- 260.104071 170.1
[M+CH3COO]- 274.119721 189.2
[M+Na-2H]- 236.080536 155.0
[M]+ 215.10532142 147.4
[M]- 215.10641858 147.4
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

No patent data available for this compound.