CID 393844

Nsc696771

Structural Information

Molecular Formula
C16H16N4O2
SMILES
COC1=CC=C(C=C1)NC(=O)C2=C(C(=C3N2CCC3)C#N)N
InChI
InChI=1S/C16H16N4O2/c1-22-11-6-4-10(5-7-11)19-16(21)15-14(18)12(9-17)13-3-2-8-20(13)15/h4-7H,2-3,8,18H2,1H3,(H,19,21)
InChIKey
ZHJZRCUNYYWUTO-UHFFFAOYSA-N
Compound name
2-amino-1-cyano-N-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12732 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 172.4
[M+Na]+ 319.11654 182.0
[M-H]- 295.12004 177.1
[M+NH4]+ 314.16114 188.0
[M+K]+ 335.09048 175.8
[M+H-H2O]+ 279.12458 158.0
[M+HCOO]- 341.12552 191.6
[M+CH3COO]- 355.14117 216.9
[M+Na-2H]- 317.10199 172.0
[M]+ 296.12677 166.8
[M]- 296.12787 166.8
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.