CID 2727351

Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]-

Structural Information

Molecular Formula
C16H12ClN3O
SMILES
C1=CC=C(C(=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)Cl)N)O
InChI
InChI=1S/C16H12ClN3O/c17-11-7-5-10(6-8-11)13-9-14(20-16(18)19-13)12-3-1-2-4-15(12)21/h1-9,21H,(H2,18,19,20)
InChIKey
CMYSPHIEHNZLJW-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0669 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07418 167.4
[M+Na]+ 320.05612 177.6
[M-H]- 296.05962 173.2
[M+NH4]+ 315.10072 179.6
[M+K]+ 336.03006 169.8
[M+H-H2O]+ 280.06416 158.0
[M+HCOO]- 342.06510 184.1
[M+CH3COO]- 356.08075 178.5
[M+Na-2H]- 318.04157 172.5
[M]+ 297.06635 167.3
[M]- 297.06745 167.3
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.