CID 73325014

Dtxsid801349378

Structural Information

Molecular Formula
C10H13ClN4O
SMILES
CC(=NC(=O)N)N(C)CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C10H13ClN4O/c1-7(14-10(12)16)15(2)6-8-3-4-9(11)13-5-8/h3-5H,6H2,1-2H3,(H2,12,16)
InChIKey
ISBUGOZWWNMPPC-UHFFFAOYSA-N
Compound name
1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

240.07779 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08507 154.2
[M+Na]+ 263.06701 161.2
[M-H]- 239.07051 158.8
[M+NH4]+ 258.11161 171.6
[M+K]+ 279.04095 159.1
[M+H-H2O]+ 223.07505 147.0
[M+HCOO]- 285.07599 175.8
[M+CH3COO]- 299.09164 202.1
[M+Na-2H]- 261.05246 157.9
[M]+ 240.07724 155.9
[M]- 240.07834 155.9
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.