CID 3044563

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

Structural Information

Molecular Formula
C13H20N4O2
SMILES
COC1=C(C=C(C=C1)CNNC2=NCCCN2)OC
InChI
InChI=1S/C13H20N4O2/c1-18-11-5-4-10(8-12(11)19-2)9-16-17-13-14-6-3-7-15-13/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15,17)
InChIKey
KFFVZOHRTKXUDJ-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 160.4
[M+Na]+ 287.14785 165.0
[M-H]- 263.15135 162.5
[M+NH4]+ 282.19245 172.8
[M+K]+ 303.12179 161.5
[M+H-H2O]+ 247.15589 150.8
[M+HCOO]- 309.15683 180.6
[M+CH3COO]- 323.17248 198.4
[M+Na-2H]- 285.13330 166.3
[M]+ 264.15808 157.6
[M]- 264.15918 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.