CID 54690940

Phenprocoumon gly-nh deriv.

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CCC(C1=CC(=CC=C1)NC(=O)CN)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C20H20N2O4/c1-2-14(12-6-5-7-13(10-12)22-17(23)11-21)18-19(24)15-8-3-4-9-16(15)26-20(18)25/h3-10,14,24H,2,11,21H2,1H3,(H,22,23)
InChIKey
IMAGEYQLOOPHPS-UHFFFAOYSA-N
Compound name
2-amino-N-[3-[1-(4-hydroxy-2-oxochromen-3-yl)propyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 184.1
[M+Na]+ 375.13152 190.6
[M-H]- 351.13502 190.8
[M+NH4]+ 370.17612 195.1
[M+K]+ 391.10546 187.3
[M+H-H2O]+ 335.13956 175.2
[M+HCOO]- 397.14050 204.1
[M+CH3COO]- 411.15615 218.3
[M+Na-2H]- 373.11697 187.0
[M]+ 352.14175 185.0
[M]- 352.14285 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.