CID 5270929

1-[[4-(1-ethyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methyl]indole

Structural Information

Molecular Formula
C20H20N4
SMILES
CCN1C(=NC(=N1)C2=CC=C(C=C2)CN3C=CC4=CC=CC=C43)C
InChI
InChI=1S/C20H20N4/c1-3-24-15(2)21-20(22-24)18-10-8-16(9-11-18)14-23-13-12-17-6-4-5-7-19(17)23/h4-13H,3,14H2,1-2H3
InChIKey
UXXCSCJIMDYHHY-UHFFFAOYSA-N
Compound name
1-[[4-(1-ethyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.1688 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17608 176.8
[M+Na]+ 339.15802 188.0
[M-H]- 315.16152 183.6
[M+NH4]+ 334.20262 190.7
[M+K]+ 355.13196 180.8
[M+H-H2O]+ 299.16606 166.0
[M+HCOO]- 361.16700 197.8
[M+CH3COO]- 375.18265 188.3
[M+Na-2H]- 337.14347 178.6
[M]+ 316.16825 180.7
[M]- 316.16935 180.7
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

No patent data available for this compound.