CID 14639236

2402838-08-6

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC(C)(C)C1=NC(=NC=C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O2/c1-15(2,3)12-11(14(18)19)9-16-13(17-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,18,19)
InChIKey
IYZVVZVPLSBROU-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-phenylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 159.7
[M+Na]+ 279.11042 173.6
[M+NH4]+ 274.15502 166.4
[M+K]+ 295.08436 167.9
[M-H]- 255.11392 161.6
[M+Na-2H]- 277.09587 167.8
[M]+ 256.12065 162.2
[M]- 256.12175 162.2
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.