CID 6918053

Am 682

Structural Information

Molecular Formula
C20H20N2O6
SMILES
CCC(=O)NC1=CC(=C(C=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C20H20N2O6/c1-3-17(23)21-14-9-10-15(20(27)28-4-2)16(11-14)22-18(24)12-5-7-13(8-6-12)19(25)26/h5-11H,3-4H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKey
BUBVVEAEAWHBBD-UHFFFAOYSA-N
Compound name
4-[[2-ethoxycarbonyl-5-(propanoylamino)phenyl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

384.13214 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13942 188.9
[M+Na]+ 407.12136 192.6
[M-H]- 383.12486 194.0
[M+NH4]+ 402.16596 198.5
[M+K]+ 423.09530 190.8
[M+H-H2O]+ 367.12940 179.9
[M+HCOO]- 429.13034 209.6
[M+CH3COO]- 443.14599 222.9
[M+Na-2H]- 405.10681 187.6
[M]+ 384.13159 190.9
[M]- 384.13269 190.9
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

patents stripe