CID 393848

Nsc696775

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CC(=O)NC1=C(N2CCCC2=C1C#N)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H16N4O2/c1-11(22)19-15-13(10-18)14-8-5-9-21(14)16(15)17(23)20-12-6-3-2-4-7-12/h2-4,6-7H,5,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKey
RFJLSDABCLZQDJ-UHFFFAOYSA-N
Compound name
2-acetamido-1-cyano-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 178.0
[M+Na]+ 331.11654 186.4
[M-H]- 307.12004 182.6
[M+NH4]+ 326.16114 192.9
[M+K]+ 347.09048 180.1
[M+H-H2O]+ 291.12458 163.2
[M+HCOO]- 353.12552 196.6
[M+CH3COO]- 367.14117 218.5
[M+Na-2H]- 329.10199 177.3
[M]+ 308.12677 171.9
[M]- 308.12787 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.