CID 6477567

Nsc690954

Structural Information

Molecular Formula
C23H23N3O5
SMILES
CN(C)C1=CC=C(C=C1)/C=C(/C2=NC(C(=O)O2)CCC(=O)O)\NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H23N3O5/c1-26(2)17-10-8-15(9-11-17)14-19(24-21(29)16-6-4-3-5-7-16)22-25-18(23(30)31-22)12-13-20(27)28/h3-11,14,18H,12-13H2,1-2H3,(H,24,29)(H,27,28)/b19-14-
InChIKey
ZMCJXVDVAPKKGY-RGEXLXHISA-N
Compound name
3-[2-[(Z)-1-benzamido-2-[4-(dimethylamino)phenyl]ethenyl]-5-oxo-4H-1,3-oxazol-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.16376 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17104 201.7
[M+Na]+ 444.15298 204.7
[M-H]- 420.15648 210.6
[M+NH4]+ 439.19758 209.1
[M+K]+ 460.12692 202.7
[M+H-H2O]+ 404.16102 191.6
[M+HCOO]- 466.16196 221.2
[M+CH3COO]- 480.17761 231.5
[M+Na-2H]- 442.13843 199.3
[M]+ 421.16321 203.2
[M]- 421.16431 203.2
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.