CID 73089

Cni-h0294

Structural Information

Molecular Formula
C16H18N4O2
SMILES
CC1=CC(=NC2=CC(=CC(=C2)C(=O)C)C(=O)C)N=C(N1C)N
InChI
InChI=1S/C16H18N4O2/c1-9-5-15(19-16(17)20(9)4)18-14-7-12(10(2)21)6-13(8-14)11(3)22/h5-8H,1-4H3,(H2,17,18,19)
InChIKey
ZXIPHGZDAXPXBX-UHFFFAOYSA-N
Compound name
1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

32
Patents

298.14297 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 170.2
[M+Na]+ 321.13219 183.3
[M+NH4]+ 316.17679 175.7
[M+K]+ 337.10613 177.7
[M-H]- 297.13569 173.5
[M+Na-2H]- 319.11764 176.8
[M]+ 298.14242 172.7
[M]- 298.14352 172.7
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