CID 133109

Cni h1194

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CC1=CC(=NC(=N1)N)NC2=CC(=CC(=C2)C(=O)C)C(=O)C
InChI
InChI=1S/C15H16N4O2/c1-8-4-14(19-15(16)17-8)18-13-6-11(9(2)20)5-12(7-13)10(3)21/h4-7H,1-3H3,(H3,16,17,18,19)
InChIKey
DGKHVUISKJMDOJ-UHFFFAOYSA-N
Compound name
1-[3-acetyl-5-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

284.12732 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 167.0
[M+Na]+ 307.11654 175.1
[M-H]- 283.12004 171.5
[M+NH4]+ 302.16114 179.4
[M+K]+ 323.09048 171.1
[M+H-H2O]+ 267.12458 157.8
[M+HCOO]- 329.12552 188.6
[M+CH3COO]- 343.14117 208.9
[M+Na-2H]- 305.10199 169.3
[M]+ 284.12677 166.9
[M]- 284.12787 166.9
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.