CID 11543746

Way-255348

Structural Information

Molecular Formula
C16H14FN3O
SMILES
CC1(C2=C(C(=CC(=C2)C3=CC=C(N3C)C#N)F)NC1=O)C
InChI
InChI=1S/C16H14FN3O/c1-16(2)11-6-9(7-12(17)14(11)19-15(16)21)13-5-4-10(8-18)20(13)3/h4-7H,1-3H3,(H,19,21)
InChIKey
KIOOLNRTWPFVHX-UHFFFAOYSA-N
Compound name
5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

53
Patents

283.1121 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.119376 163.3
[M+Na]+ 306.101318 177.4
[M-H]- 282.104824 165.8
[M+NH4]+ 301.145923 181.0
[M+K]+ 322.075258 168.7
[M+H-H2O]+ 266.109360 149.3
[M+HCOO]- 328.110301 178.8
[M+CH3COO]- 342.125951 174.1
[M+Na-2H]- 304.086766 162.9
[M]+ 283.11155142 158.3
[M]- 283.11264858 158.3
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