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]+ 267.12404 166.2
[M+Na]+ 289.10598 175.7
[M-H]- 265.10948 170.7
[M+NH4]+ 284.15058 182.7
[M+K]+ 305.07992 169.0
[M+H-H2O]+ 249.11402 151.7
[M+HCOO]- 311.11496 185.5
[M+CH3COO]- 325.13061 176.1
[M+Na-2H]- 287.09143 166.7
[M]+ 266.11621 158.8
[M]- 266.11731 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.