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]+ 293.16081 167.5
[M+Na]+ 315.14275 173.2
[M-H]- 291.14625 171.2
[M+NH4]+ 310.18735 179.6
[M+K]+ 331.11669 170.3
[M+H-H2O]+ 275.15079 157.5
[M+HCOO]- 337.15173 189.2
[M+CH3COO]- 351.16738 205.7
[M+Na-2H]- 313.12820 172.5
[M]+ 292.15298 167.8
[M]- 292.15408 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.