CID 6443555

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

Structural Information

Molecular Formula
C11H12Cl2N4
SMILES
C1CNC(=NC1)N/N=C\C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C11H12Cl2N4/c12-9-3-1-4-10(13)8(9)7-16-17-11-14-5-2-6-15-11/h1,3-4,7H,2,5-6H2,(H2,14,15,17)/b16-7-
InChIKey
RWRHTPHPVOCXGJ-APSNUPSMSA-N
Compound name
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

270.0439 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05118 158.7
[M+Na]+ 293.03312 166.1
[M-H]- 269.03662 161.2
[M+NH4]+ 288.07772 172.9
[M+K]+ 309.00706 159.3
[M+H-H2O]+ 253.04116 150.6
[M+HCOO]- 315.04210 170.9
[M+CH3COO]- 329.05775 168.9
[M+Na-2H]- 291.01857 164.3
[M]+ 270.04335 156.5
[M]- 270.04445 156.5
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.