CID 118052

33235-94-8

Structural Information

Molecular Formula
C14H20N2O
SMILES
CCOC(C1=CC=C(C=C1)C)C2=NCCCN2
InChI
InChI=1S/C14H20N2O/c1-3-17-13(14-15-9-4-10-16-14)12-7-5-11(2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKey
YMBJPKOYMAYDAM-UHFFFAOYSA-N
Compound name
2-[ethoxy-(4-methylphenyl)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 155.7
[M+Na]+ 255.146778 160.5
[M-H]- 231.150284 157.3
[M+NH4]+ 250.191383 169.8
[M+K]+ 271.120718 156.7
[M+H-H2O]+ 215.154820 146.8
[M+HCOO]- 277.155761 172.3
[M+CH3COO]- 291.171411 189.4
[M+Na-2H]- 253.132226 159.5
[M]+ 232.15701142 152.2
[M]- 232.15810858 152.2
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.