CID 135412004

Mls000777045

Structural Information

Molecular Formula
C14H16N4O
SMILES
CC1=CC(=O)NC(=N1)N/N=C/C(C)C2=CC=CC=C2
InChI
InChI=1S/C14H16N4O/c1-10(12-6-4-3-5-7-12)9-15-18-14-16-11(2)8-13(19)17-14/h3-10H,1-2H3,(H2,16,17,18,19)/b15-9+
InChIKey
HNHYXWAVXGQPKV-OQLLNIDSSA-N
Compound name
4-methyl-2-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

256.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 158.8
[M+Na]+ 279.12164 165.9
[M-H]- 255.12514 163.0
[M+NH4]+ 274.16624 172.3
[M+K]+ 295.09558 161.2
[M+H-H2O]+ 239.12968 149.3
[M+HCOO]- 301.13062 182.2
[M+CH3COO]- 315.14627 200.3
[M+Na-2H]- 277.10709 165.3
[M]+ 256.13187 157.6
[M]- 256.13297 157.6
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

No patent data available for this compound.