CID 5281087

Oxantel

Structural Information

Molecular Formula
C13H16N2O
SMILES
CN1CCCN=C1/C=C/C2=CC(=CC=C2)O
InChI
InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+
InChIKey
VRYKTHBAWRESFI-VOTSOKGWSA-N
Compound name
3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

4518
Patents

216.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 150.4
[M+Na]+ 239.11549 157.3
[M-H]- 215.11899 152.6
[M+NH4]+ 234.16009 165.6
[M+K]+ 255.08943 152.7
[M+H-H2O]+ 199.12353 142.0
[M+HCOO]- 261.12447 168.5
[M+CH3COO]- 275.14012 185.2
[M+Na-2H]- 237.10094 155.1
[M]+ 216.12572 146.8
[M]- 216.12682 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe