CID 503457

1-[(2,4-difluorophenyl)methyl]-3-(1-imidazol-1-ylethyl)indole

Structural Information

Molecular Formula
C20H17F2N3
SMILES
CC(C1=CN(C2=CC=CC=C21)CC3=C(C=C(C=C3)F)F)N4C=CN=C4
InChI
InChI=1S/C20H17F2N3/c1-14(24-9-8-23-13-24)18-12-25(20-5-3-2-4-17(18)20)11-15-6-7-16(21)10-19(15)22/h2-10,12-14H,11H2,1H3
InChIKey
VWFBVCBFZATXIV-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-3-(1-imidazol-1-ylethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.13907 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14635 177.8
[M+Na]+ 360.12829 188.7
[M-H]- 336.13179 183.4
[M+NH4]+ 355.17289 192.0
[M+K]+ 376.10223 181.3
[M+H-H2O]+ 320.13633 166.1
[M+HCOO]- 382.13727 197.1
[M+CH3COO]- 396.15292 188.8
[M+Na-2H]- 358.11374 177.5
[M]+ 337.13852 178.8
[M]- 337.13962 178.8
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.