CID 129896932

Mbq-167

Structural Information

Molecular Formula
C22H18N4
SMILES
CCN1C2=C(C=C(C=C2)N3C(=CN=N3)C4=CC=CC=C4)C5=CC=CC=C51
InChI
InChI=1S/C22H18N4/c1-2-25-20-11-7-6-10-18(20)19-14-17(12-13-21(19)25)26-22(15-23-24-26)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKey
LJCANTASZGYJLG-UHFFFAOYSA-N
Compound name
9-ethyl-3-(5-phenyltriazol-1-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

46
Patents

338.15314 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16042 181.8
[M+Na]+ 361.14236 194.3
[M-H]- 337.14586 189.9
[M+NH4]+ 356.18696 195.5
[M+K]+ 377.11630 185.7
[M+H-H2O]+ 321.15040 170.6
[M+HCOO]- 383.15134 203.0
[M+CH3COO]- 397.16699 193.3
[M+Na-2H]- 359.12781 185.8
[M]+ 338.15259 186.3
[M]- 338.15369 186.3
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