CID 135412004

(e)-6-methyl-2-(2-(2-phenylpropylidene)hydrazinyl)pyrimidin-4(3h)-one

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]+ 257.139696 158.8
[M+Na]+ 279.121638 165.9
[M-H]- 255.125144 163.0
[M+NH4]+ 274.166243 172.3
[M+K]+ 295.095578 161.2
[M+H-H2O]+ 239.129680 149.3
[M+HCOO]- 301.130621 182.2
[M+CH3COO]- 315.146271 200.3
[M+Na-2H]- 277.107086 165.3
[M]+ 256.13187142 157.6
[M]- 256.13296858 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.