CID 47363

Dipi

Structural Information

Molecular Formula
C20H19N5
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C3=CC4=C(N3)C=C(C=C4)C5=NCCN5
InChI
InChI=1S/C20H19N5/c1-3-14(19-21-7-8-22-19)4-2-13(1)17-11-15-5-6-16(12-18(15)25-17)20-23-9-10-24-20/h1-6,11-12,25H,7-10H2,(H,21,22)(H,23,24)
InChIKey
DOETVZCFKJCYJV-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1115
Patents

329.16403 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17131 173.7
[M+Na]+ 352.15325 181.6
[M-H]- 328.15675 178.8
[M+NH4]+ 347.19785 184.6
[M+K]+ 368.12719 172.9
[M+H-H2O]+ 312.16129 163.2
[M+HCOO]- 374.16223 188.6
[M+CH3COO]- 388.17788 182.6
[M+Na-2H]- 350.13870 172.2
[M]+ 329.16348 168.7
[M]- 329.16458 168.7
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