CID 118049

Brn 0809695

Structural Information

Molecular Formula
C13H16Cl2N2O
SMILES
CCOC(C1=C(C=CC=C1Cl)Cl)C2=NCCCN2
InChI
InChI=1S/C13H16Cl2N2O/c1-2-18-12(13-16-7-4-8-17-13)11-9(14)5-3-6-10(11)15/h3,5-6,12H,2,4,7-8H2,1H3,(H,16,17)
InChIKey
YNBCYQOZRYKLMD-UHFFFAOYSA-N
Compound name
2-[(2,6-dichlorophenyl)-ethoxymethyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06396 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07124 161.0
[M+Na]+ 309.05318 168.0
[M-H]- 285.05668 162.0
[M+NH4]+ 304.09778 174.4
[M+K]+ 325.02712 161.7
[M+H-H2O]+ 269.06122 153.3
[M+HCOO]- 331.06216 168.0
[M+CH3COO]- 345.07781 195.8
[M+Na-2H]- 307.03863 163.3
[M]+ 286.06341 160.7
[M]- 286.06451 160.7
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

patents stripe