CID 20864

N-(2,6-diethylphenyl)-4,5-dihydro-1h-imidazol-2-amine

Structural Information

Molecular Formula
C13H19N3
SMILES
CCC1=C(C(=CC=C1)CC)NC2=NCCN2
InChI
InChI=1S/C13H19N3/c1-3-10-6-5-7-11(4-2)12(10)16-13-14-8-9-15-13/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,16)
InChIKey
IALHTUPVRAQZFI-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

71
References

180
Patents

217.1579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.165176 151.3
[M+Na]+ 240.147118 158.0
[M-H]- 216.150624 153.9
[M+NH4]+ 235.191723 168.2
[M+K]+ 256.121058 153.5
[M+H-H2O]+ 200.155160 143.0
[M+HCOO]- 262.156101 172.4
[M+CH3COO]- 276.171751 188.5
[M+Na-2H]- 238.132566 154.9
[M]+ 217.15735142 148.6
[M]- 217.15844858 148.6
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