CID 10198927

Mna-279

Structural Information

Molecular Formula
C14H11N3O2
SMILES
C1CC1C(=O)C(C#N)C(=O)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H11N3O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,12H,3-4H2,(H,17,19)
InChIKey
GSSLQBZZKKOMAF-UHFFFAOYSA-N
Compound name
2-cyano-N-(4-cyanophenyl)-3-cyclopropyl-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

280
Patents

253.08513 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09241 164.5
[M+Na]+ 276.07435 180.2
[M-H]- 252.07785 172.4
[M+NH4]+ 271.11895 174.7
[M+K]+ 292.04829 171.4
[M+H-H2O]+ 236.08239 153.1
[M+HCOO]- 298.08333 179.0
[M+CH3COO]- 312.09898 226.0
[M+Na-2H]- 274.05980 166.8
[M]+ 253.08458 160.3
[M]- 253.08568 160.3
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