CID 5470027

Nsc696788

Structural Information

Molecular Formula
C20H20N4O2
SMILES
C/C=C/C=NC1=C(N2CCCC2=C1C#N)C(=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H20N4O2/c1-3-4-11-22-18-16(13-21)17-6-5-12-24(17)19(18)20(25)23-14-7-9-15(26-2)10-8-14/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,25)/b4-3+,22-11?
InChIKey
OHPVDGMZMHBWRG-ZAMHGMFKSA-N
Compound name
2-[[(E)-but-2-enylidene]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

348.15863 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 188.2
[M+Na]+ 371.14785 197.2
[M-H]- 347.15135 193.9
[M+NH4]+ 366.19245 202.6
[M+K]+ 387.12179 189.9
[M+H-H2O]+ 331.15589 172.9
[M+HCOO]- 393.15683 208.3
[M+CH3COO]- 407.17248 227.6
[M+Na-2H]- 369.13330 186.9
[M]+ 348.15808 184.8
[M]- 348.15918 184.8
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.