CID 118050

Brn 0663509

Structural Information

Molecular Formula
C17H20N2O
SMILES
CCOC(C1=CC=CC2=CC=CC=C21)C3=NCCCN3
InChI
InChI=1S/C17H20N2O/c1-2-20-16(17-18-11-6-12-19-17)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16H,2,6,11-12H2,1H3,(H,18,19)
InChIKey
PKKRHRYCPUGUDD-UHFFFAOYSA-N
Compound name
2-[ethoxy(naphthalen-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.7
[M+Na]+ 291.14678 168.4
[M-H]- 267.15028 165.9
[M+NH4]+ 286.19138 176.9
[M+K]+ 307.12072 163.1
[M+H-H2O]+ 251.15482 154.0
[M+HCOO]- 313.15576 178.9
[M+CH3COO]- 327.17141 173.0
[M+Na-2H]- 289.13223 169.0
[M]+ 268.15701 159.8
[M]- 268.15811 159.8
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.