CID 55718

Napamezole

Structural Information

Molecular Formula
C14H16N2
SMILES
C1CC(=CC2=CC=CC=C21)CC3=NCCN3
InChI
InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
InChIKey
WETRBJOSGIDJHQ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

581
Patents

212.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 148.1
[M+Na]+ 235.120568 154.7
[M-H]- 211.124074 151.0
[M+NH4]+ 230.165173 165.9
[M+K]+ 251.094508 149.3
[M+H-H2O]+ 195.128610 139.7
[M+HCOO]- 257.129551 166.2
[M+CH3COO]- 271.145201 159.4
[M+Na-2H]- 233.106016 153.2
[M]+ 212.13080142 143.4
[M]- 212.13189858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe