CID 10220854

2-(2-imidazolin-2-yl)-1-phenyl-1h-indole

Structural Information

Molecular Formula
C17H15N3
SMILES
C1CN=C(N1)C2=CC3=CC=CC=C3N2C4=CC=CC=C4
InChI
InChI=1S/C17H15N3/c1-2-7-14(8-3-1)20-15-9-5-4-6-13(15)12-16(20)17-18-10-11-19-17/h1-9,12H,10-11H2,(H,18,19)
InChIKey
XUIUIZMIIPNHIJ-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

8
Patents

261.1266 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 158.5
[M+Na]+ 284.11582 167.9
[M-H]- 260.11932 164.8
[M+NH4]+ 279.16042 174.7
[M+K]+ 300.08976 161.1
[M+H-H2O]+ 244.12386 149.0
[M+HCOO]- 306.12480 179.2
[M+CH3COO]- 320.14045 170.4
[M+Na-2H]- 282.10127 162.3
[M]+ 261.12605 157.1
[M]- 261.12715 157.1
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