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

18
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

literature stripe

Patent stripe

patents stripe