CID 393842

Nsc696769

Structural Information

Molecular Formula
C15H14N4O
SMILES
C1CC2=C(C(=C(N2C1)C(=O)NC3=CC=CC=C3)N)C#N
InChI
InChI=1S/C15H14N4O/c16-9-11-12-7-4-8-19(12)14(13(11)17)15(20)18-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8,17H2,(H,18,20)
InChIKey
XNDXAYSKHGTEPP-UHFFFAOYSA-N
Compound name
2-amino-1-cyano-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11676 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 166.2
[M+Na]+ 289.105978 175.7
[M-H]- 265.109484 170.7
[M+NH4]+ 284.150583 182.7
[M+K]+ 305.079918 169.0
[M+H-H2O]+ 249.114020 151.7
[M+HCOO]- 311.114961 185.5
[M+CH3COO]- 325.130611 176.1
[M+Na-2H]- 287.091426 166.7
[M]+ 266.11621142 158.8
[M]- 266.11730858 158.8
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.