CID 9570571

38063-95-5

Structural Information

Molecular Formula
C21H27N3O4
SMILES
CC1=CC(=C(O1)C)C(=O)NC2=CC=C(C=C2)/C(=N/OCCN3CCOCC3)/C
InChI
InChI=1S/C21H27N3O4/c1-15-14-20(17(3)28-15)21(25)22-19-6-4-18(5-7-19)16(2)23-27-13-10-24-8-11-26-12-9-24/h4-7,14H,8-13H2,1-3H3,(H,22,25)/b23-16+
InChIKey
FQRIBFGMPREZPY-XQNSMLJCSA-N
Compound name
2,5-dimethyl-N-[4-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]phenyl]furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20016 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20744 196.3
[M+Na]+ 408.18938 199.2
[M-H]- 384.19288 206.4
[M+NH4]+ 403.23398 205.0
[M+K]+ 424.16332 198.6
[M+H-H2O]+ 368.19742 186.2
[M+HCOO]- 430.19836 215.5
[M+CH3COO]- 444.21401 226.1
[M+Na-2H]- 406.17483 195.8
[M]+ 385.19961 197.9
[M]- 385.20071 197.9
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.