CID 118047

Brn 0662741

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]+ 255.14918 159.2
[M+Na]+ 277.13112 164.4
[M-H]- 253.13462 161.6
[M+NH4]+ 272.17572 173.0
[M+K]+ 293.10506 159.3
[M+H-H2O]+ 237.13916 149.7
[M+HCOO]- 299.14010 174.7
[M+CH3COO]- 313.15575 168.9
[M+Na-2H]- 275.11657 165.1
[M]+ 254.14135 155.0
[M]- 254.14245 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.