CID 401966

Schembl6363087

Structural Information

Molecular Formula
C19H19N5
SMILES
CN1C2=C(C=C(C=C2)C3=NCCN3)C4=C1C=CC(=C4)C5=NCCN5
InChI
InChI=1S/C19H19N5/c1-24-16-4-2-12(18-20-6-7-21-18)10-14(16)15-11-13(3-5-17(15)24)19-22-8-9-23-19/h2-5,10-11H,6-9H2,1H3,(H,20,21)(H,22,23)
InChIKey
WJQJNMMRXRCBLT-UHFFFAOYSA-N
Compound name
3,6-bis(4,5-dihydro-1H-imidazol-2-yl)-9-methylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

317.16403 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 174.3
[M+Na]+ 340.15325 184.1
[M-H]- 316.15675 178.7
[M+NH4]+ 335.19785 187.9
[M+K]+ 356.12719 176.1
[M+H-H2O]+ 300.16129 164.5
[M+HCOO]- 362.16223 189.4
[M+CH3COO]- 376.17788 184.0
[M+Na-2H]- 338.13870 172.9
[M]+ 317.16348 172.3
[M]- 317.16458 172.3
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