CID 5335657

Mls001194841

Structural Information

Molecular Formula
C14H16N4O3
SMILES
CC1=CN=C(NC1=O)N/N=C/C2=C(C(=CC=C2)OC)OC
InChI
InChI=1S/C14H16N4O3/c1-9-7-15-14(17-13(9)19)18-16-8-10-5-4-6-11(20-2)12(10)21-3/h4-8H,1-3H3,(H2,15,17,18,19)/b16-8+
InChIKey
ALGHQKIIYGSSDY-LZYBPNLTSA-N
Compound name
2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

288.12225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 165.1
[M+Na]+ 311.11147 174.0
[M-H]- 287.11497 170.0
[M+NH4]+ 306.15607 177.8
[M+K]+ 327.08541 170.1
[M+H-H2O]+ 271.11951 155.4
[M+HCOO]- 333.12045 189.8
[M+CH3COO]- 347.13610 206.3
[M+Na-2H]- 309.09692 171.3
[M]+ 288.12170 168.1
[M]- 288.12280 168.1
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.