CID 137319705

Gsk2643943a

Structural Information

Molecular Formula
C17H12FN3
SMILES
C1=CC(=CC(=C1)F)/C=C/C2=CC3=C(C=C2)C(=C(N3)N)C#N
InChI
InChI=1S/C17H12FN3/c18-13-3-1-2-11(8-13)4-5-12-6-7-14-15(10-19)17(20)21-16(14)9-12/h1-9,21H,20H2/b5-4+
InChIKey
CGXBPMZRTMXEIA-SNAWJCMRSA-N
Compound name
2-amino-6-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

277.10153 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10881 169.2
[M+Na]+ 300.09075 181.8
[M-H]- 276.09425 171.6
[M+NH4]+ 295.13535 184.0
[M+K]+ 316.06469 171.6
[M+H-H2O]+ 260.09879 154.1
[M+HCOO]- 322.09973 187.3
[M+CH3COO]- 336.11538 179.0
[M+Na-2H]- 298.07620 171.4
[M]+ 277.10098 161.8
[M]- 277.10208 161.8
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

patents stripe