CID 9588279

Pyrimidine, 3,4,5,6-tetrahydro-2-(2,3,4-trimethoxybenzylidenehydrazino)-, hydrochloride

Structural Information

Molecular Formula
C14H20N4O3
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC2=NCCCN2
InChI
InChI=1S/C14H20N4O3/c1-19-11-7-10(8-12(20-2)13(11)21-3)9-17-18-14-15-5-4-6-16-14/h7-9H,4-6H2,1-3H3,(H2,15,16,18)/b17-9+
InChIKey
ZKPVUKXUPSTNKB-RQZCQDPDSA-N
Compound name
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15353 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.160806 167.5
[M+Na]+ 315.142748 173.2
[M-H]- 291.146254 171.2
[M+NH4]+ 310.187353 179.6
[M+K]+ 331.116688 170.3
[M+H-H2O]+ 275.150790 157.5
[M+HCOO]- 337.151731 189.2
[M+CH3COO]- 351.167381 205.7
[M+Na-2H]- 313.128196 172.5
[M]+ 292.15298142 167.8
[M]- 292.15407858 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.