CID 3044565

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

Structural Information

Molecular Formula
C11H14Cl2N4
SMILES
C1CNC(=NC1)NNCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H14Cl2N4/c12-9-3-2-8(6-10(9)13)7-16-17-11-14-4-1-5-15-11/h2-3,6,16H,1,4-5,7H2,(H2,14,15,17)
InChIKey
YNFLZUZBJXYRKS-UHFFFAOYSA-N
Compound name
1-[(3,4-dichlorophenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06682 158.6
[M+Na]+ 295.04876 165.2
[M-H]- 271.05226 159.7
[M+NH4]+ 290.09336 172.0
[M+K]+ 311.02270 158.2
[M+H-H2O]+ 255.05680 150.8
[M+HCOO]- 317.05774 169.1
[M+CH3COO]- 331.07339 168.1
[M+Na-2H]- 293.03421 163.9
[M]+ 272.05899 155.4
[M]- 272.06009 155.4
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.