CID 56720

2020/12 ciba

Structural Information

Molecular Formula
C15H16N2O
SMILES
COC1=CC=C(C2=CC=CC=C21)CC3=NCCN3
InChI
InChI=1S/C15H16N2O/c1-18-14-7-6-11(10-15-16-8-9-17-15)12-4-2-3-5-13(12)14/h2-7H,8-10H2,1H3,(H,16,17)
InChIKey
OQOJHMDOWMYMPM-UHFFFAOYSA-N
Compound name
2-[(4-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.8
[M+Na]+ 263.11549 162.7
[M-H]- 239.11899 158.3
[M+NH4]+ 258.16009 171.8
[M+K]+ 279.08943 157.5
[M+H-H2O]+ 223.12353 146.3
[M+HCOO]- 285.12447 174.1
[M+CH3COO]- 299.14012 166.4
[M+Na-2H]- 261.10094 159.7
[M]+ 240.12572 153.7
[M]- 240.12682 153.7
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

patents stripe