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]+ 353.149576 184.1
[M+Na]+ 375.131518 190.6
[M-H]- 351.135024 190.8
[M+NH4]+ 370.176123 195.1
[M+K]+ 391.105458 187.3
[M+H-H2O]+ 335.139560 175.2
[M+HCOO]- 397.140501 204.1
[M+CH3COO]- 411.156151 218.3
[M+Na-2H]- 373.116966 187.0
[M]+ 352.14175142 185.0
[M]- 352.14284858 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.