CID 3044567

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

Structural Information

Molecular Formula
C11H15ClN4
SMILES
C1CNC(=NC1)NNCC2=CC=CC=C2Cl
InChI
InChI=1S/C11H15ClN4/c12-10-5-2-1-4-9(10)8-15-16-11-13-6-3-7-14-11/h1-2,4-5,15H,3,6-8H2,(H2,13,14,16)
InChIKey
VKTYZNVRYHFDGG-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09853 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10581 151.8
[M+Na]+ 261.08775 157.3
[M-H]- 237.09125 153.5
[M+NH4]+ 256.13235 166.0
[M+K]+ 277.06169 151.4
[M+H-H2O]+ 221.09579 143.4
[M+HCOO]- 283.09673 167.6
[M+CH3COO]- 297.11238 161.9
[M+Na-2H]- 259.07320 158.9
[M]+ 238.09798 147.1
[M]- 238.09908 147.1
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.