CID 118047

33235-83-5

Structural Information

Molecular Formula
C16H18N2O
SMILES
COC(C1=CC2=CC=CC=C2C=C1)C3=NCCCN3
InChI
InChI=1S/C16H18N2O/c1-19-15(16-17-9-4-10-18-16)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11,15H,4,9-10H2,1H3,(H,17,18)
InChIKey
CQRUJOUMKXYQGD-UHFFFAOYSA-N
Compound name
2-[methoxy(naphthalen-2-yl)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 159.2
[M+Na]+ 277.131118 164.4
[M-H]- 253.134624 161.6
[M+NH4]+ 272.175723 173.0
[M+K]+ 293.105058 159.3
[M+H-H2O]+ 237.139160 149.7
[M+HCOO]- 299.140101 174.7
[M+CH3COO]- 313.155751 168.9
[M+Na-2H]- 275.116566 165.1
[M]+ 254.14135142 155.0
[M]- 254.14244858 155.0
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.