CID 212719

Brn 0534223

Structural Information

Molecular Formula
C16H17N3
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=N2)C3=NCCN3
InChI
InChI=1S/C16H17N3/c1-16(15-18-11-12-19-15,13-7-3-2-4-8-13)14-9-5-6-10-17-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKey
DQBUBUTZHJXBSG-UHFFFAOYSA-N
Compound name
2-[1-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.14224 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 159.0
[M+Na]+ 274.13146 165.0
[M-H]- 250.13496 162.9
[M+NH4]+ 269.17606 172.2
[M+K]+ 290.10540 159.3
[M+H-H2O]+ 234.13950 149.0
[M+HCOO]- 296.14044 176.2
[M+CH3COO]- 310.15609 169.2
[M+Na-2H]- 272.11691 164.9
[M]+ 251.14169 154.6
[M]- 251.14279 154.6
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