CID 59730981

Schembl2734522

Structural Information

Molecular Formula
C26H26N2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC4=C3CC(CC4)O
InChI
InChI=1S/C26H26N2O4/c1-2-32-25(30)19-11-9-17(10-12-19)20-6-3-7-21(15-20)27-26(31)28-24-8-4-5-18-13-14-22(29)16-23(18)24/h3-12,15,22,29H,2,13-14,16H2,1H3,(H2,27,28,31)
InChIKey
IWMJRJDFRWWJBW-UHFFFAOYSA-N
Compound name
ethyl 4-[3-[(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbamoylamino]phenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

430.18927 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19655 205.7
[M+Na]+ 453.17849 218.0
[M+NH4]+ 448.22309 212.2
[M+K]+ 469.15243 210.3
[M-H]- 429.18199 212.4
[M+Na-2H]- 451.16394 213.2
[M]+ 430.18872 209.2
[M]- 430.18982 209.2
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

patents stripe