CID 393856

Nsc696783

Structural Information

Molecular Formula
C22H25N5O4
SMILES
COC1=CC=C(C=C1)NC(=O)C2=C(C(=C3N2CCC3)C#N)NC(=O)CN4CCOCC4
InChI
InChI=1S/C22H25N5O4/c1-30-16-6-4-15(5-7-16)24-22(29)21-20(17(13-23)18-3-2-8-27(18)21)25-19(28)14-26-9-11-31-12-10-26/h4-7H,2-3,8-12,14H2,1H3,(H,24,29)(H,25,28)
InChIKey
BKSDVDHDZZQYSH-UHFFFAOYSA-N
Compound name
1-cyano-N-(4-methoxyphenyl)-2-[(2-morpholin-4-ylacetyl)amino]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19064 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.19792 198.4
[M+Na]+ 446.17986 203.7
[M-H]- 422.18336 203.5
[M+NH4]+ 441.22446 205.9
[M+K]+ 462.15380 198.1
[M+H-H2O]+ 406.18790 181.8
[M+HCOO]- 468.18884 210.9
[M+CH3COO]- 482.20449 236.9
[M+Na-2H]- 444.16531 195.4
[M]+ 423.19009 191.6
[M]- 423.19119 191.6
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.